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

Systemtic Name: (1S,2S)-1-(4-butoxyphenyl)-1-cyclohexyl-2-(4-fluorophenyl)-3-piperidin-1-ium-1-yl-propan-1-ol Openeye Name: (1S,2S)-1-(4-butoxyphenyl)-1-cyclohexyl-2-(4-fluorophenyl)-3-piperidin-1-ium-1-yl-propan-1-ol CAS Name: (1S,2S)-1-(4-butoxyphenyl)-1-cyclohexyl-2-(4-fluorophenyl)-3-(1-piperidin-1-iumyl)-1-propanol IUPAC Name: (1S,2S)-1-(4-butoxyphenyl)-1-cyclohexyl-2-(4-fluorophenyl)-3-piperidin-1-ium-1-ylpropan-1-ol Traditional Name: (1S,2S)-1-(4-butoxyphenyl)-1-cyclohexyl-2-(4-fluorophenyl)-3-piperidin-1-ium-1-yl-propan-1-ol Formula: C30H43FNO2+ MolecularWeight: 468.666323

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(C2CCCCC2)(C(C[NH+]3CCCCC3)C4=CC=C(C=C4)F)O

Isomeric SMILES

CCCCOC1=CC=C(C=C1)[C@](C2CCCCC2)([C@H](C[NH+]3CCCCC3)C4=CC=C(C=C4)F)O

InChI

InChI=1S/C30H42FNO2/c1-2-3-22-34-28-18-14-26(15-19-28)30(33,25-10-6-4-7-11-25)29(23-32-20-8-5-9-21-32)24-12-16-27(31)17-13-24/h12-19,25,29,33H,2-11,20-23H2,1H3/p+1/t29-,30-/m1/s1