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

Systemtic Name: 5-oxidanylidene-3-(oxiran-2-ylmethyl)-N,1-diphenyl-2H-1,2,3-triazol-3-ium-4-carboxamide Openeye Name: 3-(oxiran-2-ylmethyl)-5-oxo-N,1-diphenyl-2H-triazol-3-ium-4-carboxamide CAS Name: 3-(2-oxiranylmethyl)-5-oxo-N,1-diphenyl-2H-triazol-3-ium-4-carboxamide IUPAC Name: 3-(oxiran-2-ylmethyl)-5-oxo-N,1-diphenyl-2H-triazol-3-ium-4-carboxamide Traditional Name: 3-glycidyl-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:

C1C(O1)C[N+]2=C(C(=O)N(N2)C3=CC=CC=C3)C(=O)NC4=CC=CC=C4

Isomeric SMILES

C1C(O1)C[N+]2=C(C(=O)N(N2)C3=CC=CC=C3)C(=O)NC4=CC=CC=C4

InChI

InChI=1S/C18H16N4O3/c23-17(19-13-7-3-1-4-8-13)16-18(24)22(14-9-5-2-6-10-14)20-21(16)11-15-12-25-15/h1-10,15H,11-12H2,(H-,19,20,23,24)/p+1