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

Systemtic Name: 2-(2,4-dimethylphenyl)-5-methyl-N-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]-1,2,3-triazole-4-carboxamide Openeye Name: 2-(2,4-dimethylphenyl)-5-methyl-N-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]triazole-4-carboxamide CAS Name: 2-(2,4-dimethylphenyl)-5-methyl-N-[2-(4-methyl-1-piperazin-4-iumyl)phenyl]-4-triazolecarboxamide IUPAC Name: 2-(2,4-dimethylphenyl)-5-methyl-N-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]triazole-4-carboxamide Traditional Name: 2-(2,4-dimethylphenyl)-5-methyl-N-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]triazole-4-carboxamide Formula: C23H29N6O+ MolecularWeight: 405.51596

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2N=C(C(=N2)C(=O)NC3=CC=CC=C3N4CC[NH+](CC4)C)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)N2N=C(C(=N2)C(=O)NC3=CC=CC=C3N4CC[NH+](CC4)C)C)C

InChI

InChI=1S/C23H28N6O/c1-16-9-10-20(17(2)15-16)29-25-18(3)22(26-29)23(30)24-19-7-5-6-8-21(19)28-13-11-27(4)12-14-28/h5-10,15H,11-14H2,1-4H3,(H,24,30)/p+1