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

Systemtic Name: 1-methyl-1-[2-(4-methylphenyl)-2-oxidanylidene-ethyl]-4-phenyl-piperidin-1-ium-4-carbonitrile bromide Openeye Name: 1-methyl-1-[2-oxo-2-(p-tolyl)ethyl]-4-phenyl-piperidin-1-ium-4-carbonitrile bromide CAS Name: 1-methyl-1-[2-(4-methylphenyl)-2-oxoethyl]-4-phenyl-4-piperidin-1-iumcarbonitrile bromide IUPAC Name: 1-methyl-1-[2-(4-methylphenyl)-2-oxoethyl]-4-phenylpiperidin-1-ium-4-carbonitrile bromide Traditional Name: 1-[2-keto-2-(p-tolyl)ethyl]-1-methyl-4-phenyl-piperidin-1-ium-4-carbonitrile bromide Formula: C22H25BrN2O MolecularWeight: 413.3507

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C[N+]2(CCC(CC2)(C#N)C3=CC=CC=C3)C.[Br-]

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C[N+]2(CCC(CC2)(C#N)C3=CC=CC=C3)C.[Br-]

InChI

InChI=1S/C22H25N2O.BrH/c1-18-8-10-19(11-9-18)21(25)16-24(2)14-12-22(17-23,13-15-24)20-6-4-3-5-7-20;/h3-11H,12-16H2,1-2H3;1H/q+1;/p-1