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

Systemtic Name: N,N-dimethyl-1-[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]pyridin-1-ium-3-carboxamide Openeye Name: 1-[2-(benzylamino)-2-oxo-ethyl]-N,N-dimethyl-pyridin-1-ium-3-carboxamide CAS Name: N,N-dimethyl-1-[2-oxo-2-[(phenylmethyl)amino]ethyl]-3-pyridin-1-iumcarboxamide IUPAC Name: 1-[2-(benzylamino)-2-oxoethyl]-N,N-dimethylpyridin-1-ium-3-carboxamide Traditional Name: 1-[2-(benzylamino)-2-keto-ethyl]-N,N-dimethyl-pyridin-1-ium-3-carboxamide Formula: C17H20N3O2+ MolecularWeight: 298.3596

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19N3O2/c1-19(2)17(22)15-9-6-10-20(12-15)13-16(21)18-11-14-7-4-3-5-8-14/h3-10,12H,11,13H2,1-2H3/p+1