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

Systemtic Name: (1S,2S)-1,2-bis(4-fluorophenyl)-1-(2-methylphenyl)-3-piperidin-1-ium-1-yl-propan-1-ol Openeye Name: (1S,2S)-1,2-bis(4-fluorophenyl)-1-(o-tolyl)-3-piperidin-1-ium-1-yl-propan-1-ol CAS Name: (1S,2S)-1,2-bis(4-fluorophenyl)-1-(2-methylphenyl)-3-(1-piperidin-1-iumyl)-1-propanol IUPAC Name: (1S,2S)-1,2-bis(4-fluorophenyl)-1-(2-methylphenyl)-3-piperidin-1-ium-1-ylpropan-1-ol Traditional Name: (1S,2S)-1,2-bis(4-fluorophenyl)-1-(o-tolyl)-3-piperidin-1-ium-1-yl-propan-1-ol Formula: C27H30F2NO+ MolecularWeight: 422.530006

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(C2=CC=C(C=C2)F)(C(C[NH+]3CCCCC3)C4=CC=C(C=C4)F)O

Isomeric SMILES

CC1=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/C27H29F2NO/c1-20-7-3-4-8-25(20)27(31,22-11-15-24(29)16-12-22)26(19-30-17-5-2-6-18-30)21-9-13-23(28)14-10-21/h3-4,7-16,26,31H,2,5-6,17-19H2,1H3/p+1/t26-,27+/m1/s1