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

Systemtic Name: N-butyl-1-(2-oxidanylidene-2-phenylazanyl-ethyl)pyridin-1-ium-3-carboxamide chloride Openeye Name: 1-(2-anilino-2-oxo-ethyl)-N-butyl-pyridin-1-ium-3-carboxamide chloride CAS Name: 1-(2-anilino-2-oxoethyl)-N-butyl-3-pyridin-1-iumcarboxamide chloride IUPAC Name: 1-(2-anilino-2-oxoethyl)-N-butylpyridin-1-ium-3-carboxamide chloride Traditional Name: 1-(2-anilino-2-keto-ethyl)-N-butyl-pyridin-1-ium-3-carboxamide chloride Formula: C18H22ClN3O2 MolecularWeight: 347.83918

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N3O2.ClH/c1-2-3-11-19-18(23)15-8-7-12-21(13-15)14-17(22)20-16-9-5-4-6-10-16;/h4-10,12-13H,2-3,11,14H2,1H3,(H-,19,20,22,23);1H