5-[2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]ethanoylamino]-2-phenyl-1,2,3-triazole-4-carboxamide

Systemtic Name: 5-[2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]ethanoylamino]-2-phenyl-1,2,3-triazole-4-carboxamide Openeye Name: 5-[[2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]acetyl]amino]-2-phenyl-triazole-4-carboxamide CAS Name: 5-[[2-[4-(4-fluorophenyl)-1-piperazin-1-iumyl]-1-oxoethyl]amino]-2-phenyl-4-triazolecarboxamide IUPAC Name: 5-[[2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]acetyl]amino]-2-phenyltriazole-4-carboxamide Traditional Name: 5-[[2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]acetyl]amino]-2-phenyl-triazole-4-carboxamide Formula: C21H23FN7O2+ MolecularWeight: 424.451423

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=NN(N=C2C(=O)N)C3=CC=CC=C3)C4=CC=C(C=C4)F

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=NN(N=C2C(=O)N)C3=CC=CC=C3)C4=CC=C(C=C4)F

InChI

InChI=1S/C21H22FN7O2/c22-15-6-8-16(9-7-15)28-12-10-27(11-13-28)14-18(30)24-21-19(20(23)31)25-29(26-21)17-4-2-1-3-5-17/h1-9H,10-14H2,(H2,23,31)(H,24,26,30)/p+1