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

Systemtic Name: 3-(3-chloranyl-2-oxidanyl-propyl)-5-oxidanylidene-N,1-diphenyl-2H-1,2,3-triazol-3-ium-4-carboxamide Openeye Name: 3-(3-chloro-2-hydroxy-propyl)-5-oxo-N,1-diphenyl-2H-triazol-3-ium-4-carboxamide CAS Name: 3-(3-chloro-2-hydroxypropyl)-5-oxo-N,1-diphenyl-2H-triazol-3-ium-4-carboxamide IUPAC Name: 3-(3-chloro-2-hydroxypropyl)-5-oxo-N,1-diphenyl-2H-triazol-3-ium-4-carboxamide Traditional Name: 3-(3-chloro-2-hydroxy-propyl)-5-keto-N,1-diphenyl-2H-triazol-3-ium-4-carboxamide Formula: C18H18ClN4O3+ MolecularWeight: 373.81352

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=O)C2=[N+](NN(C2=O)C3=CC=CC=C3)CC(CCl)O

Isomeric SMILES

C1=CC=C(C=C1)NC(=O)C2=[N+](NN(C2=O)C3=CC=CC=C3)CC(CCl)O

InChI

InChI=1S/C18H17ClN4O3/c19-11-15(24)12-22-16(17(25)20-13-7-3-1-4-8-13)18(26)23(21-22)14-9-5-2-6-10-14/h1-10,15,24H,11-12H2,(H-,20,21,25,26)/p+1