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

Systemtic Name: (2S,3S)-3-(4-butoxyphenyl)-2-(4-fluorophenyl)-1-piperidin-1-ium-1-yl-hexan-3-ol Openeye Name: (2S,3S)-3-(4-butoxyphenyl)-2-(4-fluorophenyl)-1-piperidin-1-ium-1-yl-hexan-3-ol CAS Name: (2S,3S)-3-(4-butoxyphenyl)-2-(4-fluorophenyl)-1-(1-piperidin-1-iumyl)-3-hexanol IUPAC Name: (2S,3S)-3-(4-butoxyphenyl)-2-(4-fluorophenyl)-1-piperidin-1-ium-1-ylhexan-3-ol Traditional Name: (2S,3S)-3-(4-butoxyphenyl)-2-(4-fluorophenyl)-1-piperidin-1-ium-1-yl-hexan-3-ol Formula: C27H39FNO2+ MolecularWeight: 428.602463

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(CCC)(C(C[NH+]2CCCCC2)C3=CC=C(C=C3)F)O

Isomeric SMILES

CCCCOC1=CC=C(C=C1)[C@](CCC)([C@H](C[NH+]2CCCCC2)C3=CC=C(C=C3)F)O

InChI

InChI=1S/C27H38FNO2/c1-3-5-20-31-25-15-11-23(12-16-25)27(30,17-4-2)26(21-29-18-7-6-8-19-29)22-9-13-24(28)14-10-22/h9-16,26,30H,3-8,17-21H2,1-2H3/p+1/t26-,27-/m1/s1