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

Systemtic Name: (2S,3S)-3-(4-bromophenyl)-2-(4-fluorophenyl)-1-piperidin-1-ium-1-yl-heptan-3-ol Openeye Name: (2S,3S)-3-(4-bromophenyl)-2-(4-fluorophenyl)-1-piperidin-1-ium-1-yl-heptan-3-ol CAS Name: (2S,3S)-3-(4-bromophenyl)-2-(4-fluorophenyl)-1-(1-piperidin-1-iumyl)-3-heptanol IUPAC Name: (2S,3S)-3-(4-bromophenyl)-2-(4-fluorophenyl)-1-piperidin-1-ium-1-ylheptan-3-ol Traditional Name: (2S,3S)-3-(4-bromophenyl)-2-(4-fluorophenyl)-1-piperidin-1-ium-1-yl-heptan-3-ol Formula: C24H32BrFNO+ MolecularWeight: 449.419383

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H31BrFNO/c1-2-3-15-24(28,20-9-11-21(25)12-10-20)23(18-27-16-5-4-6-17-27)19-7-13-22(26)14-8-19/h7-14,23,28H,2-6,15-18H2,1H3/p+1/t23-,24-/m1/s1