(2S,3S)-3-(4-butoxyphenyl)-2-(4-fluorophenyl)-6-methyl-1-piperidin-1-ium-1-yl-heptan-3-ol

Systemtic Name: (2S,3S)-3-(4-butoxyphenyl)-2-(4-fluorophenyl)-6-methyl-1-piperidin-1-ium-1-yl-heptan-3-ol Openeye Name: (2S,3S)-3-(4-butoxyphenyl)-2-(4-fluorophenyl)-6-methyl-1-piperidin-1-ium-1-yl-heptan-3-ol CAS Name: (2S,3S)-3-(4-butoxyphenyl)-2-(4-fluorophenyl)-6-methyl-1-(1-piperidin-1-iumyl)-3-heptanol IUPAC Name: (2S,3S)-3-(4-butoxyphenyl)-2-(4-fluorophenyl)-6-methyl-1-piperidin-1-ium-1-ylheptan-3-ol Traditional Name: (2S,3S)-3-(4-butoxyphenyl)-2-(4-fluorophenyl)-6-methyl-1-piperidin-1-ium-1-yl-heptan-3-ol Formula: C29H43FNO2+ MolecularWeight: 456.655623

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H42FNO2/c1-4-5-21-33-27-15-11-25(12-16-27)29(32,18-17-23(2)3)28(22-31-19-7-6-8-20-31)24-9-13-26(30)14-10-24/h9-16,23,28,32H,4-8,17-22H2,1-3H3/p+1/t28-,29-/m1/s1