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

Systemtic Name: N-methyl-1-[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]pyridin-1-ium-3-carboxamide Openeye Name: 1-[2-(benzylamino)-2-oxo-ethyl]-N-methyl-pyridin-1-ium-3-carboxamide CAS Name: N-methyl-1-[2-oxo-2-[(phenylmethyl)amino]ethyl]-3-pyridin-1-iumcarboxamide IUPAC Name: 1-[2-(benzylamino)-2-oxoethyl]-N-methylpyridin-1-ium-3-carboxamide Traditional Name: 1-[2-(benzylamino)-2-keto-ethyl]-N-methyl-pyridin-1-ium-3-carboxamide Formula: C16H18N3O2+ MolecularWeight: 284.33302

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17N3O2/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)/p+1