[ethyl-[1-(2-oxidanylidene-2-phenylazanyl-ethyl)pyridin-1-ium-3-yl]carbonyl-amino] benzoate chloride

Systemtic Name: [ethyl-[1-(2-oxidanylidene-2-phenylazanyl-ethyl)pyridin-1-ium-3-yl]carbonyl-amino] benzoate chloride Openeye Name: [[1-(2-anilino-2-oxo-ethyl)pyridin-1-ium-3-carbonyl]-ethyl-amino] benzoate chloride CAS Name: benzoic acid [[[1-(2-anilino-2-oxoethyl)-3-pyridin-1-iumyl]-oxomethyl]-ethylamino] ester chloride IUPAC Name: [[1-(2-anilino-2-oxoethyl)pyridin-1-ium-3-carbonyl]-ethylamino] benzoate chloride Traditional Name: benzoic acid [[1-(2-anilino-2-keto-ethyl)pyridin-1-ium-3-carbonyl]-ethyl-amino] ester chloride Formula: C23H22ClN3O4 MolecularWeight: 439.89148

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C(=O)C1=C[N+](=CC=C1)CC(=O)NC2=CC=CC=C2)OC(=O)C3=CC=CC=C3.[Cl-]

Isomeric SMILES

CCN(C(=O)C1=C[N+](=CC=C1)CC(=O)NC2=CC=CC=C2)OC(=O)C3=CC=CC=C3.[Cl-]

InChI

InChI=1S/C23H21N3O4.ClH/c1-2-26(30-23(29)18-10-5-3-6-11-18)22(28)19-12-9-15-25(16-19)17-21(27)24-20-13-7-4-8-14-20;/h3-16H,2,17H2,1H3;1H