1,1-dimethyl-2-[[(4-methylphenyl)-phenyl-methoxy]methyl]piperidin-1-ium bromide

Systemtic Name: 1,1-dimethyl-2-[[(4-methylphenyl)-phenyl-methoxy]methyl]piperidin-1-ium bromide Openeye Name: 1,1-dimethyl-2-[[phenyl(p-tolyl)methoxy]methyl]piperidin-1-ium bromide CAS Name: 1,1-dimethyl-2-[[(4-methylphenyl)-phenylmethoxy]methyl]piperidin-1-ium bromide IUPAC Name: 1,1-dimethyl-2-[[(4-methylphenyl)-phenylmethoxy]methyl]piperidin-1-ium bromide Traditional Name: 1,1-dimethyl-2-[[phenyl(p-tolyl)methoxy]methyl]piperidin-1-ium bromide Formula: C22H30BrNO MolecularWeight: 404.3837

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C2=CC=CC=C2)OCC3CCCC[N+]3(C)C.[Br-]

Isomeric SMILES

CC1=CC=C(C=C1)C(C2=CC=CC=C2)OCC3CCCC[N+]3(C)C.[Br-]

InChI

InChI=1S/C22H30NO.BrH/c1-18-12-14-20(15-13-18)22(19-9-5-4-6-10-19)24-17-21-11-7-8-16-23(21,2)3;/h4-6,9-10,12-15,21-22H,7-8,11,16-17H2,1-3H3;1H/q+1;/p-1