1-[2-[4-(3-methylphenyl)carbonylpiperazin-1-ium-1-yl]ethyl]-N-propan-2-yl-1,2,3-triazole-4-carboxamide

Systemtic Name: 1-[2-[4-(3-methylphenyl)carbonylpiperazin-1-ium-1-yl]ethyl]-N-propan-2-yl-1,2,3-triazole-4-carboxamide Openeye Name: N-isopropyl-1-[2-[4-(3-methylbenzoyl)piperazin-1-ium-1-yl]ethyl]triazole-4-carboxamide CAS Name: 1-[2-[4-[(3-methylphenyl)-oxomethyl]-1-piperazin-1-iumyl]ethyl]-N-propan-2-yl-4-triazolecarboxamide IUPAC Name: 1-[2-[4-(3-methylbenzoyl)piperazin-1-ium-1-yl]ethyl]-N-propan-2-yltriazole-4-carboxamide Traditional Name: N-isopropyl-1-[2-(4-m-toluoylpiperazin-1-ium-1-yl)ethyl]triazole-4-carboxamide Formula: C20H29N6O2+ MolecularWeight: 385.48326

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)N2CC[NH+](CC2)CCN3C=C(N=N3)C(=O)NC(C)C

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)N2CC[NH+](CC2)CCN3C=C(N=N3)C(=O)NC(C)C

InChI

InChI=1S/C20H28N6O2/c1-15(2)21-19(27)18-14-26(23-22-18)12-9-24-7-10-25(11-8-24)20(28)17-6-4-5-16(3)13-17/h4-6,13-15H,7-12H2,1-3H3,(H,21,27)/p+1