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

Systemtic Name: (1S,2S)-1,2-bis(4-fluorophenyl)-1-(3-methylphenyl)-3-piperidin-1-ium-1-yl-propan-1-ol Openeye Name: (1S,2S)-1,2-bis(4-fluorophenyl)-1-(m-tolyl)-3-piperidin-1-ium-1-yl-propan-1-ol CAS Name: (1S,2S)-1,2-bis(4-fluorophenyl)-1-(3-methylphenyl)-3-(1-piperidin-1-iumyl)-1-propanol IUPAC Name: (1S,2S)-1,2-bis(4-fluorophenyl)-1-(3-methylphenyl)-3-piperidin-1-ium-1-ylpropan-1-ol Traditional Name: (1S,2S)-1,2-bis(4-fluorophenyl)-1-(m-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=C1)C(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/c1-20-6-5-7-23(18-20)27(31,22-10-14-25(29)15-11-22)26(19-30-16-3-2-4-17-30)21-8-12-24(28)13-9-21/h5-15,18,26,31H,2-4,16-17,19H2,1H3/p+1/t26-,27+/m1/s1