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

Systemtic Name: 1-[2-(4-chlorophenyl)-2-oxidanylidene-ethyl]-N,N-diethyl-pyridin-1-ium-3-carboxamide bromide Openeye Name: 1-[2-(4-chlorophenyl)-2-oxo-ethyl]-N,N-diethyl-pyridin-1-ium-3-carboxamide bromide CAS Name: 1-[2-(4-chlorophenyl)-2-oxoethyl]-N,N-diethyl-3-pyridin-1-iumcarboxamide bromide IUPAC Name: 1-[2-(4-chlorophenyl)-2-oxoethyl]-N,N-diethylpyridin-1-ium-3-carboxamide bromide Traditional Name: 1-[2-(4-chlorophenyl)-2-keto-ethyl]-N,N-diethyl-pyridin-1-ium-3-carboxamide bromide Formula: C18H20BrClN2O2 MolecularWeight: 411.7206

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20ClN2O2.BrH/c1-3-21(4-2)18(23)15-6-5-11-20(12-15)13-17(22)14-7-9-16(19)10-8-14;/h5-12H,3-4,13H2,1-2H3;1H/q+1;/p-1