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

Systemtic Name: 1-[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]-N-phenyl-pyridin-1-ium-3-carboxamide Openeye Name: 1-[2-(benzylamino)-2-oxo-ethyl]-N-phenyl-pyridin-1-ium-3-carboxamide CAS Name: 1-[2-oxo-2-[(phenylmethyl)amino]ethyl]-N-phenyl-3-pyridin-1-iumcarboxamide IUPAC Name: 1-[2-(benzylamino)-2-oxoethyl]-N-phenylpyridin-1-ium-3-carboxamide Traditional Name: 1-[2-(benzylamino)-2-keto-ethyl]-N-phenyl-pyridin-1-ium-3-carboxamide Formula: C21H20N3O2+ MolecularWeight: 346.4024

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)C[N+]2=CC=CC(=C2)C(=O)NC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)C[N+]2=CC=CC(=C2)C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C21H19N3O2/c25-20(22-14-17-8-3-1-4-9-17)16-24-13-7-10-18(15-24)21(26)23-19-11-5-2-6-12-19/h1-13,15H,14,16H2,(H-,22,23,25,26)/p+1