1-[2-(4-chlorophenyl)-2-oxidanylidene-ethyl]-4-(3-methoxyphenyl)-1-methyl-piperidin-1-ium-4-carbonitrile bromide

Systemtic Name: 1-[2-(4-chlorophenyl)-2-oxidanylidene-ethyl]-4-(3-methoxyphenyl)-1-methyl-piperidin-1-ium-4-carbonitrile bromide Openeye Name: 1-[2-(4-chlorophenyl)-2-oxo-ethyl]-4-(3-methoxyphenyl)-1-methyl-piperidin-1-ium-4-carbonitrile bromide CAS Name: 1-[2-(4-chlorophenyl)-2-oxoethyl]-4-(3-methoxyphenyl)-1-methyl-4-piperidin-1-iumcarbonitrile bromide IUPAC Name: 1-[2-(4-chlorophenyl)-2-oxoethyl]-4-(3-methoxyphenyl)-1-methylpiperidin-1-ium-4-carbonitrile bromide Traditional Name: 1-[2-(4-chlorophenyl)-2-keto-ethyl]-4-(3-methoxyphenyl)-1-methyl-piperidin-1-ium-4-carbonitrile bromide Formula: C22H24BrClN2O2 MolecularWeight: 463.79516

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24ClN2O2.BrH/c1-25(15-21(26)17-6-8-19(23)9-7-17)12-10-22(16-24,11-13-25)18-4-3-5-20(14-18)27-2;/h3-9,14H,10-13,15H2,1-2H3;1H/q+1;/p-1