(2S,3R)-2,3-bis(4-fluorophenyl)-5-phenyl-1-piperidin-1-ium-1-yl-pentan-3-ol

Systemtic Name: (2S,3R)-2,3-bis(4-fluorophenyl)-5-phenyl-1-piperidin-1-ium-1-yl-pentan-3-ol Openeye Name: (2S,3R)-2,3-bis(4-fluorophenyl)-5-phenyl-1-piperidin-1-ium-1-yl-pentan-3-ol CAS Name: (2S,3R)-2,3-bis(4-fluorophenyl)-5-phenyl-1-(1-piperidin-1-iumyl)-3-pentanol IUPAC Name: (2S,3R)-2,3-bis(4-fluorophenyl)-5-phenyl-1-piperidin-1-ium-1-ylpentan-3-ol Traditional Name: (2S,3R)-2,3-bis(4-fluorophenyl)-5-phenyl-1-piperidin-1-ium-1-yl-pentan-3-ol Formula: C28H32F2NO+ MolecularWeight: 436.556586

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H31F2NO/c29-25-13-9-23(10-14-25)27(21-31-19-5-2-6-20-31)28(32,24-11-15-26(30)16-12-24)18-17-22-7-3-1-4-8-22/h1,3-4,7-16,27,32H,2,5-6,17-21H2/p+1/t27-,28+/m1/s1