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

Systemtic Name: (1S,2S)-1-cyclohexyl-1-(4-ethoxyphenyl)-2-(4-fluorophenyl)-3-piperidin-1-ium-1-yl-propan-1-ol Openeye Name: (1S,2S)-1-cyclohexyl-1-(4-ethoxyphenyl)-2-(4-fluorophenyl)-3-piperidin-1-ium-1-yl-propan-1-ol CAS Name: (1S,2S)-1-cyclohexyl-1-(4-ethoxyphenyl)-2-(4-fluorophenyl)-3-(1-piperidin-1-iumyl)-1-propanol IUPAC Name: (1S,2S)-1-cyclohexyl-1-(4-ethoxyphenyl)-2-(4-fluorophenyl)-3-piperidin-1-ium-1-ylpropan-1-ol Traditional Name: (1S,2S)-1-cyclohexyl-2-(4-fluorophenyl)-3-piperidin-1-ium-1-yl-1-p-phenetyl-propan-1-ol Formula: C28H39FNO2+ MolecularWeight: 440.613163

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(C2CCCCC2)(C(C[NH+]3CCCCC3)C4=CC=C(C=C4)F)O

Isomeric SMILES

CCOC1=CC=C(C=C1)[C@](C2CCCCC2)([C@H](C[NH+]3CCCCC3)C4=CC=C(C=C4)F)O

InChI

InChI=1S/C28H38FNO2/c1-2-32-26-17-13-24(14-18-26)28(31,23-9-5-3-6-10-23)27(21-30-19-7-4-8-20-30)22-11-15-25(29)16-12-22/h11-18,23,27,31H,2-10,19-21H2,1H3/p+1/t27-,28-/m1/s1