1-(2-oxidanylidene-2-phenylazanyl-ethyl)-N-(phenylmethyl)pyridin-1-ium-3-carboxamide chloride

Systemtic Name: 1-(2-oxidanylidene-2-phenylazanyl-ethyl)-N-(phenylmethyl)pyridin-1-ium-3-carboxamide chloride Openeye Name: 1-(2-anilino-2-oxo-ethyl)-N-benzyl-pyridin-1-ium-3-carboxamide chloride CAS Name: 1-(2-anilino-2-oxoethyl)-N-(phenylmethyl)-3-pyridin-1-iumcarboxamide chloride IUPAC Name: 1-(2-anilino-2-oxoethyl)-N-benzylpyridin-1-ium-3-carboxamide chloride Traditional Name: 1-(2-anilino-2-keto-ethyl)-N-benzyl-pyridin-1-ium-3-carboxamide chloride Formula: C21H20ClN3O2 MolecularWeight: 381.8554

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)C2=C[N+](=CC=C2)CC(=O)NC3=CC=CC=C3.[Cl-]

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)C2=C[N+](=CC=C2)CC(=O)NC3=CC=CC=C3.[Cl-]

InChI

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