1-(4-methoxyphenyl)-2-(4-oxidanyl-4-phenyl-piperidin-1-ium-1-yl)ethanone bromide

Systemtic Name: 1-(4-methoxyphenyl)-2-(4-oxidanyl-4-phenyl-piperidin-1-ium-1-yl)ethanone bromide Openeye Name: 2-(4-hydroxy-4-phenyl-piperidin-1-ium-1-yl)-1-(4-methoxyphenyl)ethanone bromide CAS Name: 2-(4-hydroxy-4-phenyl-1-piperidin-1-iumyl)-1-(4-methoxyphenyl)ethanone bromide IUPAC Name: 2-(4-hydroxy-4-phenylpiperidin-1-ium-1-yl)-1-(4-methoxyphenyl)ethanone bromide Traditional Name: 2-(4-hydroxy-4-phenyl-piperidin-1-ium-1-yl)-1-(4-methoxyphenyl)ethanone bromide Formula: C20H24BrNO3 MolecularWeight: 406.31346

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)C[NH+]2CCC(CC2)(C3=CC=CC=C3)O.[Br-]

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)C[NH+]2CCC(CC2)(C3=CC=CC=C3)O.[Br-]

InChI

InChI=1S/C20H23NO3.BrH/c1-24-18-9-7-16(8-10-18)19(22)15-21-13-11-20(23,12-14-21)17-5-3-2-4-6-17;/h2-10,23H,11-15H2,1H3;1H