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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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