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

Systemtic Name: [(3R,4S)-1-ethyl-1-methyl-4-oxidanyl-4-phenyl-piperidin-1-ium-3-yl]-phenyl-methanone bromide Openeye Name: [(3R,4S)-1-ethyl-4-hydroxy-1-methyl-4-phenyl-piperidin-1-ium-3-yl]-phenyl-methanone bromide CAS Name: [(3R,4S)-1-ethyl-4-hydroxy-1-methyl-4-phenyl-3-piperidin-1-iumyl]-phenylmethanone bromide IUPAC Name: [(3R,4S)-1-ethyl-4-hydroxy-1-methyl-4-phenylpiperidin-1-ium-3-yl]-phenylmethanone bromide Traditional Name: [(3R,4S)-1-ethyl-4-hydroxy-1-methyl-4-phenyl-piperidin-1-ium-3-yl]-phenyl-methanone bromide Formula: C21H26BrNO2 MolecularWeight: 404.34064

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26NO2.BrH/c1-3-22(2)15-14-21(24,18-12-8-5-9-13-18)19(16-22)20(23)17-10-6-4-7-11-17;/h4-13,19,24H,3,14-16H2,1-2H3;1H/q+1;/p-1/t19-,21+,22?;/m0./s1