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

Systemtic Name: (2S,3S)-3-(4-bromophenyl)-2-(4-fluorophenyl)-1-piperidin-1-ium-1-yl-hexan-3-ol Openeye Name: (2S,3S)-3-(4-bromophenyl)-2-(4-fluorophenyl)-1-piperidin-1-ium-1-yl-hexan-3-ol CAS Name: (2S,3S)-3-(4-bromophenyl)-2-(4-fluorophenyl)-1-(1-piperidin-1-iumyl)-3-hexanol IUPAC Name: (2S,3S)-3-(4-bromophenyl)-2-(4-fluorophenyl)-1-piperidin-1-ium-1-ylhexan-3-ol Traditional Name: (2S,3S)-3-(4-bromophenyl)-2-(4-fluorophenyl)-1-piperidin-1-ium-1-yl-hexan-3-ol Formula: C23H30BrFNO+ MolecularWeight: 435.392803

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29BrFNO/c1-2-14-23(27,19-8-10-20(24)11-9-19)22(17-26-15-4-3-5-16-26)18-6-12-21(25)13-7-18/h6-13,22,27H,2-5,14-17H2,1H3/p+1/t22-,23-/m1/s1