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

Systemtic Name: 1-[2-[(4-chlorophenyl)methylamino]-2-oxidanylidene-ethyl]-N,N-diethyl-pyridin-1-ium-3-carboxamide chloride Openeye Name: 1-[2-[(4-chlorophenyl)methylamino]-2-oxo-ethyl]-N,N-diethyl-pyridin-1-ium-3-carboxamide chloride CAS Name: 1-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N,N-diethyl-3-pyridin-1-iumcarboxamide chloride IUPAC Name: 1-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N,N-diethylpyridin-1-ium-3-carboxamide chloride Traditional Name: 1-[2-[(4-chlorobenzyl)amino]-2-keto-ethyl]-N,N-diethyl-pyridin-1-ium-3-carboxamide chloride Formula: C19H23Cl2N3O2 MolecularWeight: 396.31082

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=C[N+](=CC=C1)CC(=O)NCC2=CC=C(C=C2)Cl.[Cl-]

Isomeric SMILES

CCN(CC)C(=O)C1=C[N+](=CC=C1)CC(=O)NCC2=CC=C(C=C2)Cl.[Cl-]

InChI

InChI=1S/C19H22ClN3O2.ClH/c1-3-23(4-2)19(25)16-6-5-11-22(13-16)14-18(24)21-12-15-7-9-17(20)10-8-15;/h5-11,13H,3-4,12,14H2,1-2H3;1H