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

Systemtic Name: 1-[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]-N-(phenylmethyl)pyridin-1-ium-3-carboxamide chloride Openeye Name: N-benzyl-1-[2-(benzylamino)-2-oxo-ethyl]pyridin-1-ium-3-carboxamide chloride CAS Name: 1-[2-oxo-2-[(phenylmethyl)amino]ethyl]-N-(phenylmethyl)-3-pyridin-1-iumcarboxamide chloride IUPAC Name: N-benzyl-1-[2-(benzylamino)-2-oxoethyl]pyridin-1-ium-3-carboxamide chloride Traditional Name: N-benzyl-1-[2-(benzylamino)-2-keto-ethyl]pyridin-1-ium-3-carboxamide chloride Formula: C22H22ClN3O2 MolecularWeight: 395.88198

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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)NCC3=CC=CC=C3.[Cl-]

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)C[N+]2=CC=CC(=C2)C(=O)NCC3=CC=CC=C3.[Cl-]

InChI

InChI=1S/C22H21N3O2.ClH/c26-21(23-14-18-8-3-1-4-9-18)17-25-13-7-12-20(16-25)22(27)24-15-19-10-5-2-6-11-19;/h1-13,16H,14-15,17H2,(H-,23,24,26,27);1H