LPZ

2-(4-methylphenoxy)-1-(4-methylpiperazin-4-ium-1-yl)ethanone

Created:2019-08-30
Last modified:  2019-10-02

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Chemical Details

Formal Charge1
Atom Count39
Chiral Atom Count0
Bond Count40
Aromatic Bond Count6
2D diagram of LPZ

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Chemical Component Summary

Name2-(4-methylphenoxy)-1-(4-methylpiperazin-4-ium-1-yl)ethanone
Systematic Name (OpenEye OEToolkits)2-(4-methylphenoxy)-1-(4-methylpiperazin-4-ium-1-yl)ethanone
FormulaC14 H21 N2 O2
Molecular Weight249.329
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESCACTVS3.385C[NH+]1CCN(CC1)C(=O)COc2ccc(C)cc2
SMILESOpenEye OEToolkits2.0.7Cc1ccc(cc1)OCC(=O)N2CC[NH+](CC2)C
Canonical SMILESCACTVS3.385 C[NH+]1CCN(CC1)C(=O)COc2ccc(C)cc2
Canonical SMILESOpenEye OEToolkits2.0.7 Cc1ccc(cc1)OCC(=O)N2CC[NH+](CC2)C
InChIInChI1.03 InChI=1S/C14H20N2O2/c1-12-3-5-13(6-4-12)18-11-14(17)16-9-7-15(2)8-10-16/h3-6H,7-11H2,1-2H3/p+1
InChIKeyInChI1.03 GIIIJZOPGUFGBF-UHFFFAOYSA-O

Related Resource References

Resource NameReference
PubChem 6952762