(2S,3S)-3-(4-bromophenyl)-2-(4-fluorophenyl)-1-piperidin-1-ium-1-yl-octan-3-ol

Systemtic Name: (2S,3S)-3-(4-bromophenyl)-2-(4-fluorophenyl)-1-piperidin-1-ium-1-yl-octan-3-ol Openeye Name: (2S,3S)-3-(4-bromophenyl)-2-(4-fluorophenyl)-1-piperidin-1-ium-1-yl-octan-3-ol CAS Name: (2S,3S)-3-(4-bromophenyl)-2-(4-fluorophenyl)-1-(1-piperidin-1-iumyl)-3-octanol IUPAC Name: (2S,3S)-3-(4-bromophenyl)-2-(4-fluorophenyl)-1-piperidin-1-ium-1-yloctan-3-ol Traditional Name: (2S,3S)-3-(4-bromophenyl)-2-(4-fluorophenyl)-1-piperidin-1-ium-1-yl-octan-3-ol Formula: C25H34BrFNO+ MolecularWeight: 463.445963

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C1=CC=C(C=C1)Br)(C(C[NH+]2CCCCC2)C3=CC=C(C=C3)F)O

Isomeric SMILES

CCCCC[C@@](C1=CC=C(C=C1)Br)([C@H](C[NH+]2CCCCC2)C3=CC=C(C=C3)F)O

InChI

InChI=1S/C25H33BrFNO/c1-2-3-5-16-25(29,21-10-12-22(26)13-11-21)24(19-28-17-6-4-7-18-28)20-8-14-23(27)15-9-20/h8-15,24,29H,2-7,16-19H2,1H3/p+1/t24-,25-/m1/s1