(2S,3R)-3-(4-bromophenyl)-2,5-diphenyl-1-piperidin-1-ium-1-yl-pentan-3-ol

Systemtic Name: (2S,3R)-3-(4-bromophenyl)-2,5-diphenyl-1-piperidin-1-ium-1-yl-pentan-3-ol Openeye Name: (2S,3R)-3-(4-bromophenyl)-2,5-diphenyl-1-piperidin-1-ium-1-yl-pentan-3-ol CAS Name: (2S,3R)-3-(4-bromophenyl)-2,5-diphenyl-1-(1-piperidin-1-iumyl)-3-pentanol IUPAC Name: (2S,3R)-3-(4-bromophenyl)-2,5-diphenyl-1-piperidin-1-ium-1-ylpentan-3-ol Traditional Name: (2S,3R)-3-(4-bromophenyl)-2,5-diphenyl-1-piperidin-1-ium-1-yl-pentan-3-ol Formula: C28H33BrNO+ MolecularWeight: 479.47172

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC(C2=CC=CC=C2)C(CCC3=CC=CC=C3)(C4=CC=C(C=C4)Br)O

Isomeric SMILES

C1CC[NH+](CC1)C[C@H](C2=CC=CC=C2)[C@](CCC3=CC=CC=C3)(C4=CC=C(C=C4)Br)O

InChI

InChI=1S/C28H32BrNO/c29-26-16-14-25(15-17-26)28(31,19-18-23-10-4-1-5-11-23)27(24-12-6-2-7-13-24)22-30-20-8-3-9-21-30/h1-2,4-7,10-17,27,31H,3,8-9,18-22H2/p+1/t27-,28+/m1/s1