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

Systemtic Name: 5-oxidanylidene-3-(2-oxidanyl-3-piperidin-1-yl-propyl)-N,1-diphenyl-2H-1,2,3-triazol-3-ium-4-carboxamide Openeye Name: 3-[2-hydroxy-3-(1-piperidyl)propyl]-5-oxo-N,1-diphenyl-2H-triazol-3-ium-4-carboxamide CAS Name: 3-[2-hydroxy-3-(1-piperidinyl)propyl]-5-oxo-N,1-diphenyl-2H-triazol-3-ium-4-carboxamide IUPAC Name: 3-(2-hydroxy-3-piperidin-1-ylpropyl)-5-oxo-N,1-diphenyl-2H-triazol-3-ium-4-carboxamide Traditional Name: 3-(2-hydroxy-3-piperidino-propyl)-5-keto-N,1-diphenyl-2H-triazol-3-ium-4-carboxamide Formula: C23H28N5O3+ MolecularWeight: 422.50012

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CC(C[N+]2=C(C(=O)N(N2)C3=CC=CC=C3)C(=O)NC4=CC=CC=C4)O

Isomeric SMILES

C1CCN(CC1)CC(C[N+]2=C(C(=O)N(N2)C3=CC=CC=C3)C(=O)NC4=CC=CC=C4)O

InChI

InChI=1S/C23H27N5O3/c29-20(16-26-14-8-3-9-15-26)17-27-21(22(30)24-18-10-4-1-5-11-18)23(31)28(25-27)19-12-6-2-7-13-19/h1-2,4-7,10-13,20,29H,3,8-9,14-17H2,(H-,24,25,30,31)/p+1