[(3R,4S)-1-ethyl-1-methyl-4-(4-methylphenyl)-4-oxidanyl-piperidin-1-ium-3-yl]-(4-methylphenyl)methanone bromide

Systemtic Name: [(3R,4S)-1-ethyl-1-methyl-4-(4-methylphenyl)-4-oxidanyl-piperidin-1-ium-3-yl]-(4-methylphenyl)methanone bromide Openeye Name: [(3R,4S)-1-ethyl-4-hydroxy-1-methyl-4-(p-tolyl)piperidin-1-ium-3-yl]-(p-tolyl)methanone bromide CAS Name: [(3R,4S)-1-ethyl-4-hydroxy-1-methyl-4-(4-methylphenyl)-3-piperidin-1-iumyl]-(4-methylphenyl)methanone bromide IUPAC Name: [(3R,4S)-1-ethyl-4-hydroxy-1-methyl-4-(4-methylphenyl)piperidin-1-ium-3-yl]-(4-methylphenyl)methanone bromide Traditional Name: [(3R,4S)-1-ethyl-4-hydroxy-1-methyl-4-(p-tolyl)piperidin-1-ium-3-yl]-(p-tolyl)methanone bromide Formula: C23H30BrNO2 MolecularWeight: 432.3938

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1(CCC(C(C1)C(=O)C2=CC=C(C=C2)C)(C3=CC=C(C=C3)C)O)C.[Br-]

Isomeric SMILES

CC[N+]1(CC[C@]([C@@H](C1)C(=O)C2=CC=C(C=C2)C)(C3=CC=C(C=C3)C)O)C.[Br-]

InChI

InChI=1S/C23H30NO2.BrH/c1-5-24(4)15-14-23(26,20-12-8-18(3)9-13-20)21(16-24)22(25)19-10-6-17(2)7-11-19;/h6-13,21,26H,5,14-16H2,1-4H3;1H/q+1;/p-1/t21-,23+,24?;/m0./s1