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

Systemtic Name: [(3R,4S)-1-ethyl-4-(4-methoxyphenyl)-1-methyl-4-oxidanyl-piperidin-1-ium-3-yl]-(4-methoxyphenyl)methanone bromide Openeye Name: [(3R,4S)-1-ethyl-4-hydroxy-4-(4-methoxyphenyl)-1-methyl-piperidin-1-ium-3-yl]-(4-methoxyphenyl)methanone bromide CAS Name: [(3R,4S)-1-ethyl-4-hydroxy-4-(4-methoxyphenyl)-1-methyl-3-piperidin-1-iumyl]-(4-methoxyphenyl)methanone bromide IUPAC Name: [(3R,4S)-1-ethyl-4-hydroxy-4-(4-methoxyphenyl)-1-methylpiperidin-1-ium-3-yl]-(4-methoxyphenyl)methanone bromide Traditional Name: [(3R,4S)-1-ethyl-4-hydroxy-4-(4-methoxyphenyl)-1-methyl-piperidin-1-ium-3-yl]-(4-methoxyphenyl)methanone bromide Formula: C23H30BrNO4 MolecularWeight: 464.3926

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H30NO4.BrH/c1-5-24(2)15-14-23(26,18-8-12-20(28-4)13-9-18)21(16-24)22(25)17-6-10-19(27-3)11-7-17;/h6-13,21,26H,5,14-16H2,1-4H3;1H/q+1;/p-1/t21-,23+,24?;/m0./s1