1-(3-methoxyphenyl)-2-(4-oxidanyl-4-phenyl-piperidin-1-ium-1-yl)ethanone bromide

Systemtic Name: 1-(3-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-(3-methoxyphenyl)ethanone bromide CAS Name: 2-(4-hydroxy-4-phenyl-1-piperidin-1-iumyl)-1-(3-methoxyphenyl)ethanone bromide IUPAC Name: 2-(4-hydroxy-4-phenylpiperidin-1-ium-1-yl)-1-(3-methoxyphenyl)ethanone bromide Traditional Name: 2-(4-hydroxy-4-phenyl-piperidin-1-ium-1-yl)-1-(3-methoxyphenyl)ethanone bromide Formula: C20H24BrNO3 MolecularWeight: 406.31346

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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