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

Systemtic Name: (2S,3S)-3-(4-butoxyphenyl)-2-(4-fluorophenyl)-1-piperidin-1-ium-1-yl-octan-3-ol Openeye Name: (2S,3S)-3-(4-butoxyphenyl)-2-(4-fluorophenyl)-1-piperidin-1-ium-1-yl-octan-3-ol CAS Name: (2S,3S)-3-(4-butoxyphenyl)-2-(4-fluorophenyl)-1-(1-piperidin-1-iumyl)-3-octanol IUPAC Name: (2S,3S)-3-(4-butoxyphenyl)-2-(4-fluorophenyl)-1-piperidin-1-ium-1-yloctan-3-ol Traditional Name: (2S,3S)-3-(4-butoxyphenyl)-2-(4-fluorophenyl)-1-piperidin-1-ium-1-yl-octan-3-ol Formula: C29H43FNO2+ MolecularWeight: 456.655623

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H42FNO2/c1-3-5-8-19-29(32,25-13-17-27(18-14-25)33-22-6-4-2)28(23-31-20-9-7-10-21-31)24-11-15-26(30)16-12-24/h11-18,28,32H,3-10,19-23H2,1-2H3/p+1/t28-,29-/m1/s1