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

Systemtic Name: 5-oxidanylidene-N,1-diphenyl-3-(2-piperidin-1-ylethyl)-2H-1,2,3-triazol-3-ium-4-carboxamide Openeye Name: 5-oxo-N,1-diphenyl-3-[2-(1-piperidyl)ethyl]-2H-triazol-3-ium-4-carboxamide CAS Name: 5-oxo-N,1-diphenyl-3-[2-(1-piperidinyl)ethyl]-2H-triazol-3-ium-4-carboxamide IUPAC Name: 5-oxo-N,1-diphenyl-3-(2-piperidin-1-ylethyl)-2H-triazol-3-ium-4-carboxamide Traditional Name: 5-keto-N,1-diphenyl-3-(2-piperidinoethyl)-2H-triazol-3-ium-4-carboxamide Formula: C22H26N5O2+ MolecularWeight: 392.47414

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N5O2/c28-21(23-18-10-4-1-5-11-18)20-22(29)27(19-12-6-2-7-13-19)24-26(20)17-16-25-14-8-3-9-15-25/h1-2,4-7,10-13H,3,8-9,14-17H2,(H-,23,24,28,29)/p+1