1-[2-(4-chlorophenyl)-2-oxidanylidene-ethyl]-1-methyl-4-phenyl-piperidin-1-ium-4-carbonitrile bromide

Systemtic Name: 1-[2-(4-chlorophenyl)-2-oxidanylidene-ethyl]-1-methyl-4-phenyl-piperidin-1-ium-4-carbonitrile bromide Openeye Name: 1-[2-(4-chlorophenyl)-2-oxo-ethyl]-1-methyl-4-phenyl-piperidin-1-ium-4-carbonitrile bromide CAS Name: 1-[2-(4-chlorophenyl)-2-oxoethyl]-1-methyl-4-phenyl-4-piperidin-1-iumcarbonitrile bromide IUPAC Name: 1-[2-(4-chlorophenyl)-2-oxoethyl]-1-methyl-4-phenylpiperidin-1-ium-4-carbonitrile bromide Traditional Name: 1-[2-(4-chlorophenyl)-2-keto-ethyl]-1-methyl-4-phenyl-piperidin-1-ium-4-carbonitrile bromide Formula: C21H22BrClN2O MolecularWeight: 433.76918

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCC(CC1)(C#N)C2=CC=CC=C2)CC(=O)C3=CC=C(C=C3)Cl.[Br-]

Isomeric SMILES

C[N+]1(CCC(CC1)(C#N)C2=CC=CC=C2)CC(=O)C3=CC=C(C=C3)Cl.[Br-]

InChI

InChI=1S/C21H22ClN2O.BrH/c1-24(15-20(25)17-7-9-19(22)10-8-17)13-11-21(16-23,12-14-24)18-5-3-2-4-6-18;/h2-10H,11-15H2,1H3;1H/q+1;/p-1