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

Systemtic Name: 3-(2-morpholin-4-ylethyl)-5-oxidanylidene-N,1-diphenyl-2H-1,2,3-triazol-3-ium-4-carboxamide Openeye Name: 3-(2-morpholinoethyl)-5-oxo-N,1-diphenyl-2H-triazol-3-ium-4-carboxamide CAS Name: 3-[2-(4-morpholinyl)ethyl]-5-oxo-N,1-diphenyl-2H-triazol-3-ium-4-carboxamide IUPAC Name: 3-(2-morpholin-4-ylethyl)-5-oxo-N,1-diphenyl-2H-triazol-3-ium-4-carboxamide Traditional Name: 5-keto-3-(2-morpholinoethyl)-N,1-diphenyl-2H-triazol-3-ium-4-carboxamide Formula: C21H24N5O3+ MolecularWeight: 394.44696

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CC[N+]2=C(C(=O)N(N2)C3=CC=CC=C3)C(=O)NC4=CC=CC=C4

Isomeric SMILES

C1COCCN1CC[N+]2=C(C(=O)N(N2)C3=CC=CC=C3)C(=O)NC4=CC=CC=C4

InChI

InChI=1S/C21H23N5O3/c27-20(22-17-7-3-1-4-8-17)19-21(28)26(18-9-5-2-6-10-18)23-25(19)12-11-24-13-15-29-16-14-24/h1-10H,11-16H2,(H-,22,23,27,28)/p+1