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

Systemtic Name: 5-methyl-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]-1-phenyl-1,2,3-triazole-4-carboxamide Openeye Name: 5-methyl-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]-1-phenyl-triazole-4-carboxamide CAS Name: 5-methyl-N-[4-(4-methyl-1-piperazin-4-iumyl)phenyl]-1-phenyl-4-triazolecarboxamide IUPAC Name: 5-methyl-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]-1-phenyltriazole-4-carboxamide Traditional Name: 5-methyl-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]-1-phenyl-triazole-4-carboxamide Formula: C21H25N6O+ MolecularWeight: 377.4628

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=NN1C2=CC=CC=C2)C(=O)NC3=CC=C(C=C3)N4CC[NH+](CC4)C

Isomeric SMILES

CC1=C(N=NN1C2=CC=CC=C2)C(=O)NC3=CC=C(C=C3)N4CC[NH+](CC4)C

InChI

InChI=1S/C21H24N6O/c1-16-20(23-24-27(16)19-6-4-3-5-7-19)21(28)22-17-8-10-18(11-9-17)26-14-12-25(2)13-15-26/h3-11H,12-15H2,1-2H3,(H,22,28)/p+1