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

Systemtic Name: 1-(4-ethoxyphenyl)-5-methyl-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]-1,2,3-triazole-4-carboxamide Openeye Name: 1-(4-ethoxyphenyl)-5-methyl-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]triazole-4-carboxamide CAS Name: 1-(4-ethoxyphenyl)-5-methyl-N-[4-(4-methyl-1-piperazin-4-iumyl)phenyl]-4-triazolecarboxamide IUPAC Name: 1-(4-ethoxyphenyl)-5-methyl-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-phenetyl-triazole-4-carboxamide Formula: C23H29N6O2+ MolecularWeight: 421.51536

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=C(N=N2)C(=O)NC3=CC=C(C=C3)N4CC[NH+](CC4)C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=C(N=N2)C(=O)NC3=CC=C(C=C3)N4CC[NH+](CC4)C)C

InChI

InChI=1S/C23H28N6O2/c1-4-31-21-11-9-20(10-12-21)29-17(2)22(25-26-29)23(30)24-18-5-7-19(8-6-18)28-15-13-27(3)14-16-28/h5-12H,4,13-16H2,1-3H3,(H,24,30)/p+1