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

Systemtic Name: (2S,3S)-3-(4-bromophenyl)-2-(4-fluorophenyl)-1-piperidin-1-ium-1-yl-nonan-3-ol Openeye Name: (2S,3S)-3-(4-bromophenyl)-2-(4-fluorophenyl)-1-piperidin-1-ium-1-yl-nonan-3-ol CAS Name: (2S,3S)-3-(4-bromophenyl)-2-(4-fluorophenyl)-1-(1-piperidin-1-iumyl)-3-nonanol IUPAC Name: (2S,3S)-3-(4-bromophenyl)-2-(4-fluorophenyl)-1-piperidin-1-ium-1-ylnonan-3-ol Traditional Name: (2S,3S)-3-(4-bromophenyl)-2-(4-fluorophenyl)-1-piperidin-1-ium-1-yl-nonan-3-ol Formula: C26H36BrFNO+ MolecularWeight: 477.472543

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H35BrFNO/c1-2-3-4-6-17-26(30,22-11-13-23(27)14-12-22)25(20-29-18-7-5-8-19-29)21-9-15-24(28)16-10-21/h9-16,25,30H,2-8,17-20H2,1H3/p+1/t25-,26-/m1/s1