(1S,2S)-1,2-bis(4-fluorophenyl)-1-(2-methoxyphenyl)-3-piperidin-1-ium-1-yl-propan-1-ol

Systemtic Name: (1S,2S)-1,2-bis(4-fluorophenyl)-1-(2-methoxyphenyl)-3-piperidin-1-ium-1-yl-propan-1-ol Openeye Name: (1S,2S)-1,2-bis(4-fluorophenyl)-1-(2-methoxyphenyl)-3-piperidin-1-ium-1-yl-propan-1-ol CAS Name: (1S,2S)-1,2-bis(4-fluorophenyl)-1-(2-methoxyphenyl)-3-(1-piperidin-1-iumyl)-1-propanol IUPAC Name: (1S,2S)-1,2-bis(4-fluorophenyl)-1-(2-methoxyphenyl)-3-piperidin-1-ium-1-ylpropan-1-ol Traditional Name: (1S,2S)-1,2-bis(4-fluorophenyl)-1-(2-methoxyphenyl)-3-piperidin-1-ium-1-yl-propan-1-ol Formula: C27H30F2NO2+ MolecularWeight: 438.529406

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(C2=CC=C(C=C2)F)(C(C[NH+]3CCCCC3)C4=CC=C(C=C4)F)O

Isomeric SMILES

COC1=CC=CC=C1[C@@](C2=CC=C(C=C2)F)([C@H](C[NH+]3CCCCC3)C4=CC=C(C=C4)F)O

InChI

InChI=1S/C27H29F2NO2/c1-32-26-8-4-3-7-24(26)27(31,21-11-15-23(29)16-12-21)25(19-30-17-5-2-6-18-30)20-9-13-22(28)14-10-20/h3-4,7-16,25,31H,2,5-6,17-19H2,1H3/p+1/t25-,27+/m1/s1