2-[4-[(1,5-diphenyl-1,2,4-triazol-3-yl)carbonyl]piperazin-1-ium-1-yl]-N,N-dimethyl-ethanamide

Systemtic Name: 2-[4-[(1,5-diphenyl-1,2,4-triazol-3-yl)carbonyl]piperazin-1-ium-1-yl]-N,N-dimethyl-ethanamide Openeye Name: 2-[4-(1,5-diphenyl-1,2,4-triazole-3-carbonyl)piperazin-1-ium-1-yl]-N,N-dimethyl-acetamide CAS Name: 2-[4-[(1,5-diphenyl-1,2,4-triazol-3-yl)-oxomethyl]-1-piperazin-1-iumyl]-N,N-dimethylacetamide IUPAC Name: 2-[4-(1,5-diphenyl-1,2,4-triazole-3-carbonyl)piperazin-1-ium-1-yl]-N,N-dimethylacetamide Traditional Name: 2-[4-(1,5-diphenyl-1,2,4-triazole-3-carbonyl)piperazin-1-ium-1-yl]-N,N-dimethyl-acetamide Formula: C23H27N6O2+ MolecularWeight: 419.49948

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)C[NH+]1CCN(CC1)C(=O)C2=NN(C(=N2)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CN(C)C(=O)C[NH+]1CCN(CC1)C(=O)C2=NN(C(=N2)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C23H26N6O2/c1-26(2)20(30)17-27-13-15-28(16-14-27)23(31)21-24-22(18-9-5-3-6-10-18)29(25-21)19-11-7-4-8-12-19/h3-12H,13-17H2,1-2H3/p+1