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

Systemtic Name: 1-(4-fluorophenyl)-5-methyl-N-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]-1,2,4-triazole-3-carboxamide Openeye Name: 1-(4-fluorophenyl)-5-methyl-N-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]-1,2,4-triazole-3-carboxamide CAS Name: 1-(4-fluorophenyl)-5-methyl-N-[2-(4-methyl-1-piperazin-4-iumyl)phenyl]-1,2,4-triazole-3-carboxamide IUPAC Name: 1-(4-fluorophenyl)-5-methyl-N-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]-1,2,4-triazole-3-carboxamide Traditional Name: 1-(4-fluorophenyl)-5-methyl-N-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]-1,2,4-triazole-3-carboxamide Formula: C21H24FN6O+ MolecularWeight: 395.453263

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NN1C2=CC=C(C=C2)F)C(=O)NC3=CC=CC=C3N4CC[NH+](CC4)C

Isomeric SMILES

CC1=NC(=NN1C2=CC=C(C=C2)F)C(=O)NC3=CC=CC=C3N4CC[NH+](CC4)C

InChI

InChI=1S/C21H23FN6O/c1-15-23-20(25-28(15)17-9-7-16(22)8-10-17)21(29)24-18-5-3-4-6-19(18)27-13-11-26(2)12-14-27/h3-10H,11-14H2,1-2H3,(H,24,29)/p+1