N-(4-chlorophenyl)-1-(2-oxidanylidene-2-phenylazanyl-ethyl)pyridin-1-ium-3-carboxamide chloride

Systemtic Name: N-(4-chlorophenyl)-1-(2-oxidanylidene-2-phenylazanyl-ethyl)pyridin-1-ium-3-carboxamide chloride Openeye Name: 1-(2-anilino-2-oxo-ethyl)-N-(4-chlorophenyl)pyridin-1-ium-3-carboxamide chloride CAS Name: 1-(2-anilino-2-oxoethyl)-N-(4-chlorophenyl)-3-pyridin-1-iumcarboxamide chloride IUPAC Name: 1-(2-anilino-2-oxoethyl)-N-(4-chlorophenyl)pyridin-1-ium-3-carboxamide chloride Traditional Name: 1-(2-anilino-2-keto-ethyl)-N-(4-chlorophenyl)pyridin-1-ium-3-carboxamide chloride Formula: C20H17Cl2N3O2 MolecularWeight: 402.27388

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=O)C[N+]2=CC=CC(=C2)C(=O)NC3=CC=C(C=C3)Cl.[Cl-]

Isomeric SMILES

C1=CC=C(C=C1)NC(=O)C[N+]2=CC=CC(=C2)C(=O)NC3=CC=C(C=C3)Cl.[Cl-]

InChI

InChI=1S/C20H16ClN3O2.ClH/c21-16-8-10-18(11-9-16)23-20(26)15-5-4-12-24(13-15)14-19(25)22-17-6-2-1-3-7-17;/h1-13H,14H2,(H-,22,23,25,26);1H