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

Systemtic Name: (1R,2S)-1-(4-bromophenyl)-1-cyclohexyl-2-(4-fluorophenyl)-3-piperidin-1-ium-1-yl-propan-1-ol Openeye Name: (1R,2S)-1-(4-bromophenyl)-1-cyclohexyl-2-(4-fluorophenyl)-3-piperidin-1-ium-1-yl-propan-1-ol CAS Name: (1R,2S)-1-(4-bromophenyl)-1-cyclohexyl-2-(4-fluorophenyl)-3-(1-piperidin-1-iumyl)-1-propanol IUPAC Name: (1R,2S)-1-(4-bromophenyl)-1-cyclohexyl-2-(4-fluorophenyl)-3-piperidin-1-ium-1-ylpropan-1-ol Traditional Name: (1R,2S)-1-(4-bromophenyl)-1-cyclohexyl-2-(4-fluorophenyl)-3-piperidin-1-ium-1-yl-propan-1-ol Formula: C26H34BrFNO+ MolecularWeight: 475.456663

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(C2=CC=C(C=C2)Br)(C(C[NH+]3CCCCC3)C4=CC=C(C=C4)F)O

Isomeric SMILES

C1CCC(CC1)[C@](C2=CC=C(C=C2)Br)([C@H](C[NH+]3CCCCC3)C4=CC=C(C=C4)F)O

InChI

InChI=1S/C26H33BrFNO/c27-23-13-11-22(12-14-23)26(30,21-7-3-1-4-8-21)25(19-29-17-5-2-6-18-29)20-9-15-24(28)16-10-20/h9-16,21,25,30H,1-8,17-19H2/p+1/t25-,26+/m1/s1