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

Systemtic Name: (2S,3S)-3-(4-butoxyphenyl)-2-(4-fluorophenyl)-1-piperidin-1-ium-1-yl-nonan-3-ol Openeye Name: (2S,3S)-3-(4-butoxyphenyl)-2-(4-fluorophenyl)-1-piperidin-1-ium-1-yl-nonan-3-ol CAS Name: (2S,3S)-3-(4-butoxyphenyl)-2-(4-fluorophenyl)-1-(1-piperidin-1-iumyl)-3-nonanol IUPAC Name: (2S,3S)-3-(4-butoxyphenyl)-2-(4-fluorophenyl)-1-piperidin-1-ium-1-ylnonan-3-ol Traditional Name: (2S,3S)-3-(4-butoxyphenyl)-2-(4-fluorophenyl)-1-piperidin-1-ium-1-yl-nonan-3-ol Formula: C30H45FNO2+ MolecularWeight: 470.682203

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H44FNO2/c1-3-5-7-9-20-30(33,26-14-18-28(19-15-26)34-23-6-4-2)29(24-32-21-10-8-11-22-32)25-12-16-27(31)17-13-25/h12-19,29,33H,3-11,20-24H2,1-2H3/p+1/t29-,30-/m1/s1