(1R,2S)-1-(4-bromophenyl)-1,2-diphenyl-3-piperidin-1-ium-1-yl-propan-1-ol

Systemtic Name: (1R,2S)-1-(4-bromophenyl)-1,2-diphenyl-3-piperidin-1-ium-1-yl-propan-1-ol Openeye Name: (1R,2S)-1-(4-bromophenyl)-1,2-diphenyl-3-piperidin-1-ium-1-yl-propan-1-ol CAS Name: (1R,2S)-1-(4-bromophenyl)-1,2-diphenyl-3-(1-piperidin-1-iumyl)-1-propanol IUPAC Name: (1R,2S)-1-(4-bromophenyl)-1,2-diphenyl-3-piperidin-1-ium-1-ylpropan-1-ol Traditional Name: (1R,2S)-1-(4-bromophenyl)-1,2-diphenyl-3-piperidin-1-ium-1-yl-propan-1-ol Formula: C26H29BrNO+ MolecularWeight: 451.41856

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC(C2=CC=CC=C2)C(C3=CC=CC=C3)(C4=CC=C(C=C4)Br)O

Isomeric SMILES

C1CC[NH+](CC1)C[C@H](C2=CC=CC=C2)[C@@](C3=CC=CC=C3)(C4=CC=C(C=C4)Br)O

InChI

InChI=1S/C26H28BrNO/c27-24-16-14-23(15-17-24)26(29,22-12-6-2-7-13-22)25(21-10-4-1-5-11-21)20-28-18-8-3-9-19-28/h1-2,4-7,10-17,25,29H,3,8-9,18-20H2/p+1/t25-,26-/m1/s1