6TX

2-[isoquinolin-5-ylsulfonyl(propyl)amino]ethylazanium

Created:	2016-06-22
Last modified:	2018-01-17

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2 entries where 6TX is found as a standalone ligand

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Chemical Details
Formal Charge	1
Atom Count	40
Chiral Atom Count	0
Bond Count	41
Aromatic Bond Count	11

2D diagram of 6TX

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Chemical Component Summary
Name	2-[isoquinolin-5-ylsulfonyl(propyl)amino]ethylazanium
Systematic Name (OpenEye OEToolkits)	2-[isoquinolin-5-ylsulfonyl(propyl)amino]ethylazanium
Formula	C₁₄ H₂₀ N₃ O₂ S
Molecular Weight	294.393
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	CCCN(CC[NH3+])[S](=O)(=O)c1cccc2cnccc12
SMILES	OpenEye OEToolkits	2.0.5	CCCN(CC[NH3+])S(=O)(=O)c1cccc2c1ccnc2
Canonical SMILES	CACTVS	3.385	CCCN(CC[NH3+])[S](=O)(=O)c1cccc2cnccc12
Canonical SMILES	OpenEye OEToolkits	2.0.5	CCCN(CC[NH3+])S(=O)(=O)c1cccc2c1ccnc2
InChI	InChI	1.03	InChI=1S/C14H19N3O2S/c1-2-9-17(10-7-15)20(18,19)14-5-3-4-12-11-16-8-6-13(12)14/h3-6,8,11H,2,7,9-10,15H2,1H3/p+1
InChIKey	InChI	1.03	KYMSHJLROPBLLU-UHFFFAOYSA-O

Related Resource References

Resource Name	Reference
PubChem	137348524

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