N-methyl-1-[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]pyridin-1-ium-3-carboxamide chloride

Systemtic Name: N-methyl-1-[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]pyridin-1-ium-3-carboxamide chloride Openeye Name: 1-[2-(benzylamino)-2-oxo-ethyl]-N-methyl-pyridin-1-ium-3-carboxamide chloride CAS Name: N-methyl-1-[2-oxo-2-[(phenylmethyl)amino]ethyl]-3-pyridin-1-iumcarboxamide chloride IUPAC Name: 1-[2-(benzylamino)-2-oxoethyl]-N-methylpyridin-1-ium-3-carboxamide chloride Traditional Name: 1-[2-(benzylamino)-2-keto-ethyl]-N-methyl-pyridin-1-ium-3-carboxamide chloride Formula: C16H18ClN3O2 MolecularWeight: 319.78602

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=C[N+](=CC=C1)CC(=O)NCC2=CC=CC=C2.[Cl-]

Isomeric SMILES

CNC(=O)C1=C[N+](=CC=C1)CC(=O)NCC2=CC=CC=C2.[Cl-]

InChI

InChI=1S/C16H17N3O2.ClH/c1-17-16(21)14-8-5-9-19(11-14)12-15(20)18-10-13-6-3-2-4-7-13;/h2-9,11H,10,12H2,1H3,(H-,17,18,20,21);1H