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

Systemtic Name: 3-[3-(azepan-1-yl)-2-oxidanyl-propyl]-5-oxidanylidene-N,1-diphenyl-2H-1,2,3-triazol-3-ium-4-carboxamide Openeye Name: 3-[3-(azepan-1-yl)-2-hydroxy-propyl]-5-oxo-N,1-diphenyl-2H-triazol-3-ium-4-carboxamide CAS Name: 3-[3-(1-azepanyl)-2-hydroxypropyl]-5-oxo-N,1-diphenyl-2H-triazol-3-ium-4-carboxamide IUPAC Name: 3-[3-(azepan-1-yl)-2-hydroxypropyl]-5-oxo-N,1-diphenyl-2H-triazol-3-ium-4-carboxamide Traditional Name: 3-[3-(azepan-1-yl)-2-hydroxy-propyl]-5-keto-N,1-diphenyl-2H-triazol-3-ium-4-carboxamide Formula: C24H30N5O3+ MolecularWeight: 436.5267

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CC(C[N+]2=C(C(=O)N(N2)C3=CC=CC=C3)C(=O)NC4=CC=CC=C4)O

Isomeric SMILES

C1CCCN(CC1)CC(C[N+]2=C(C(=O)N(N2)C3=CC=CC=C3)C(=O)NC4=CC=CC=C4)O

InChI

InChI=1S/C24H29N5O3/c30-21(17-27-15-9-1-2-10-16-27)18-28-22(23(31)25-19-11-5-3-6-12-19)24(32)29(26-28)20-13-7-4-8-14-20/h3-8,11-14,21,30H,1-2,9-10,15-18H2,(H-,25,26,31,32)/p+1