CGQ

3-[C-[N'-(3-CARBAMIMIDOYL-BENZYLIDENIUM)-HYDRAZINO]-[[AMINOMETHYLIDENE]AMINIUM]-IMINOMETHYL]-BENZAMIDINIUM

Created:	2002-07-30
Last modified:	2020-05-27

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3 entries where CGQ is found as a standalone ligand

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Chemical Details
Formal Charge	3
Atom Count	48
Chiral Atom Count	0
Bond Count	49
Aromatic Bond Count	12

2D diagram of CGQ

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Chemical Component Summary
Name	3-[C-[N'-(3-CARBAMIMIDOYL-BENZYLIDENIUM)-HYDRAZINO]-[[AMINOMETHYLIDENE]AMINIUM]-IMINOMETHYL]-BENZAMIDINIUM
Synonyms	CGP40215A; BIS[[3-(AMINOIMINOMETHYL)PHENYL]METHYLENE] CARBONIMIDIC DIHYDRAZIDE
Systematic Name (OpenEye OEToolkits)	[amino-[3-[(E)-[[(E)-amino-[[3-(amino-azaniumylidene-methyl)phenyl]methylideneamino]azaniumylidene-methyl]hydrazinylidene]methyl]phenyl]methylidene]azanium
Formula	C₁₇ H₂₂ N₉
Molecular Weight	352.417
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	N(\[NH+]=C(/N)N/N=C/c1cccc(C(=[NH2+])\N)c1)=C/c2cccc(\C(=[NH2+])N)c2
SMILES	CACTVS	3.341	NC(=[NH2+])c1cccc(C=NNC(N)=[NH+]N=Cc2cccc(c2)C(N)=[NH2+])c1
SMILES	OpenEye OEToolkits	1.5.0	c1cc(cc(c1)C(=[NH2+])N)C=NNC(=[NH+]N=Cc2cccc(c2)C(=[NH2+])N)N
Canonical SMILES	CACTVS	3.341	NC(=[NH2+])c1cccc(\C=N\NC(N)=[NH+]\N=C\c2cccc(c2)C(N)=[NH2+])c1
Canonical SMILES	OpenEye OEToolkits	1.5.0	c1cc(cc(c1)C(=[NH2+])N)\C=N\N/C(=[NH+]/N=C/c2cccc(c2)C(=[NH2+])N)/N
InChI	InChI	1.03	InChI=1S/C17H19N9/c18-15(19)13-5-1-3-11(7-13)9-23-25-17(22)26-24-10-12-4-2-6-14(8-12)16(20)21/h1-10H,(H3,18,19)(H3,20,21)(H3,22,25,26)/p+3/b23-9+,24-10+
InChIKey	InChI	1.03	NSHBIZYDZBQOQB-WDBPGAOMSA-Q

Related Resource References

Resource Name	Reference
PubChem	9600407

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