(2S,3S)-3-(4-butoxyphenyl)-2-(4-fluorophenyl)-5-methyl-1-piperidin-1-ium-1-yl-hexan-3-ol

Systemtic Name: (2S,3S)-3-(4-butoxyphenyl)-2-(4-fluorophenyl)-5-methyl-1-piperidin-1-ium-1-yl-hexan-3-ol Openeye Name: (2S,3S)-3-(4-butoxyphenyl)-2-(4-fluorophenyl)-5-methyl-1-piperidin-1-ium-1-yl-hexan-3-ol CAS Name: (2S,3S)-3-(4-butoxyphenyl)-2-(4-fluorophenyl)-5-methyl-1-(1-piperidin-1-iumyl)-3-hexanol IUPAC Name: (2S,3S)-3-(4-butoxyphenyl)-2-(4-fluorophenyl)-5-methyl-1-piperidin-1-ium-1-ylhexan-3-ol Traditional Name: (2S,3S)-3-(4-butoxyphenyl)-2-(4-fluorophenyl)-5-methyl-1-piperidin-1-ium-1-yl-hexan-3-ol Formula: C28H41FNO2+ MolecularWeight: 442.629043

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H40FNO2/c1-4-5-19-32-26-15-11-24(12-16-26)28(31,20-22(2)3)27(21-30-17-7-6-8-18-30)23-9-13-25(29)14-10-23/h9-16,22,27,31H,4-8,17-21H2,1-3H3/p+1/t27-,28-/m1/s1