5-oxidanylidene-3-(2-oxidanylidenepropyl)-N,1-diphenyl-2H-1,2,3-triazol-3-ium-4-carboxamide

Systemtic Name: 5-oxidanylidene-3-(2-oxidanylidenepropyl)-N,1-diphenyl-2H-1,2,3-triazol-3-ium-4-carboxamide Openeye Name: 3-acetonyl-5-oxo-N,1-diphenyl-2H-triazol-3-ium-4-carboxamide CAS Name: 5-oxo-3-(2-oxopropyl)-N,1-diphenyl-2H-triazol-3-ium-4-carboxamide IUPAC Name: 5-oxo-3-(2-oxopropyl)-N,1-diphenyl-2H-triazol-3-ium-4-carboxamide Traditional Name: 3-acetonyl-5-keto-N,1-diphenyl-2H-triazol-3-ium-4-carboxamide Formula: C18H17N4O3+ MolecularWeight: 337.35258

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C[N+]1=C(C(=O)N(N1)C2=CC=CC=C2)C(=O)NC3=CC=CC=C3

Isomeric SMILES

CC(=O)C[N+]1=C(C(=O)N(N1)C2=CC=CC=C2)C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C18H16N4O3/c1-13(23)12-21-16(17(24)19-14-8-4-2-5-9-14)18(25)22(20-21)15-10-6-3-7-11-15/h2-11H,12H2,1H3,(H-,19,20,24,25)/p+1