5-methyl-1-(4-methylphenyl)-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]-1,2,3-triazole-4-carboxamide

Systemtic Name: 5-methyl-1-(4-methylphenyl)-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]-1,2,3-triazole-4-carboxamide Openeye Name: 5-methyl-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]-1-(p-tolyl)triazole-4-carboxamide CAS Name: 5-methyl-1-(4-methylphenyl)-N-[4-(4-methyl-1-piperazin-4-iumyl)phenyl]-4-triazolecarboxamide IUPAC Name: 5-methyl-1-(4-methylphenyl)-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]triazole-4-carboxamide Traditional Name: 5-methyl-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]-1-(p-tolyl)triazole-4-carboxamide Formula: C22H27N6O+ MolecularWeight: 391.48938

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=C(N=N2)C(=O)NC3=CC=C(C=C3)N4CC[NH+](CC4)C)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=C(N=N2)C(=O)NC3=CC=C(C=C3)N4CC[NH+](CC4)C)C

InChI

InChI=1S/C22H26N6O/c1-16-4-8-20(9-5-16)28-17(2)21(24-25-28)22(29)23-18-6-10-19(11-7-18)27-14-12-26(3)13-15-27/h4-11H,12-15H2,1-3H3,(H,23,29)/p+1