1-[2-[(4-chlorophenyl)amino]-2-oxidanylidene-ethyl]-N,N-diethyl-pyridin-1-ium-3-carboxamide chloride

Systemtic Name: 1-[2-[(4-chlorophenyl)amino]-2-oxidanylidene-ethyl]-N,N-diethyl-pyridin-1-ium-3-carboxamide chloride Openeye Name: 1-[2-(4-chloroanilino)-2-oxo-ethyl]-N,N-diethyl-pyridin-1-ium-3-carboxamide chloride CAS Name: 1-[2-(4-chloroanilino)-2-oxoethyl]-N,N-diethyl-3-pyridin-1-iumcarboxamide chloride IUPAC Name: 1-[2-(4-chloroanilino)-2-oxoethyl]-N,N-diethylpyridin-1-ium-3-carboxamide chloride Traditional Name: 1-[2-(4-chloroanilino)-2-keto-ethyl]-N,N-diethyl-pyridin-1-ium-3-carboxamide chloride Formula: C18H21Cl2N3O2 MolecularWeight: 382.28424

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20ClN3O2.ClH/c1-3-22(4-2)18(24)14-6-5-11-21(12-14)13-17(23)20-16-9-7-15(19)8-10-16;/h5-12H,3-4,13H2,1-2H3;1H