(1S,2S)-1-(4-bromophenyl)-1-(3-methylphenyl)-2-phenyl-3-piperidin-1-ium-1-yl-propan-1-ol

Systemtic Name: (1S,2S)-1-(4-bromophenyl)-1-(3-methylphenyl)-2-phenyl-3-piperidin-1-ium-1-yl-propan-1-ol Openeye Name: (1S,2S)-1-(4-bromophenyl)-1-(m-tolyl)-2-phenyl-3-piperidin-1-ium-1-yl-propan-1-ol CAS Name: (1S,2S)-1-(4-bromophenyl)-1-(3-methylphenyl)-2-phenyl-3-(1-piperidin-1-iumyl)-1-propanol IUPAC Name: (1S,2S)-1-(4-bromophenyl)-1-(3-methylphenyl)-2-phenyl-3-piperidin-1-ium-1-ylpropan-1-ol Traditional Name: (1S,2S)-1-(4-bromophenyl)-1-(m-tolyl)-2-phenyl-3-piperidin-1-ium-1-yl-propan-1-ol Formula: C27H31BrNO+ MolecularWeight: 465.44514

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C(C2=CC=C(C=C2)Br)(C(C[NH+]3CCCCC3)C4=CC=CC=C4)O

Isomeric SMILES

CC1=CC(=CC=C1)[C@@](C2=CC=C(C=C2)Br)([C@H](C[NH+]3CCCCC3)C4=CC=CC=C4)O

InChI

InChI=1S/C27H30BrNO/c1-21-9-8-12-24(19-21)27(30,23-13-15-25(28)16-14-23)26(22-10-4-2-5-11-22)20-29-17-6-3-7-18-29/h2,4-5,8-16,19,26,30H,3,6-7,17-18,20H2,1H3/p+1/t26-,27+/m1/s1