(2S,3S)-3-(4-bromophenyl)-2-(4-fluorophenyl)-5-methyl-1-piperidin-1-ium-1-yl-hexan-3-ol

Systemtic Name: (2S,3S)-3-(4-bromophenyl)-2-(4-fluorophenyl)-5-methyl-1-piperidin-1-ium-1-yl-hexan-3-ol Openeye Name: (2S,3S)-3-(4-bromophenyl)-2-(4-fluorophenyl)-5-methyl-1-piperidin-1-ium-1-yl-hexan-3-ol CAS Name: (2S,3S)-3-(4-bromophenyl)-2-(4-fluorophenyl)-5-methyl-1-(1-piperidin-1-iumyl)-3-hexanol IUPAC Name: (2S,3S)-3-(4-bromophenyl)-2-(4-fluorophenyl)-5-methyl-1-piperidin-1-ium-1-ylhexan-3-ol Traditional Name: (2S,3S)-3-(4-bromophenyl)-2-(4-fluorophenyl)-5-methyl-1-piperidin-1-ium-1-yl-hexan-3-ol Formula: C24H32BrFNO+ MolecularWeight: 449.419383

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H31BrFNO/c1-18(2)16-24(28,20-8-10-21(25)11-9-20)23(17-27-14-4-3-5-15-27)19-6-12-22(26)13-7-19/h6-13,18,23,28H,3-5,14-17H2,1-2H3/p+1/t23-,24-/m1/s1