[(3S)-3-[(4-fluorophenyl)methyl]-1-(1-phenethylpiperidin-4-yl)piperidin-1-ium-3-yl]methanol

Systemtic Name: [(3S)-3-[(4-fluorophenyl)methyl]-1-(1-phenethylpiperidin-4-yl)piperidin-1-ium-3-yl]methanol Openeye Name: [(3S)-3-[(4-fluorophenyl)methyl]-1-(1-phenethyl-4-piperidyl)piperidin-1-ium-3-yl]methanol CAS Name: [(3S)-3-[(4-fluorophenyl)methyl]-1-(1-phenethyl-4-piperidinyl)-3-piperidin-1-iumyl]methanol IUPAC Name: [(3S)-3-[(4-fluorophenyl)methyl]-1-(1-phenethylpiperidin-4-yl)piperidin-1-ium-3-yl]methanol Traditional Name: [(3S)-3-(4-fluorobenzyl)-1-(1-phenethyl-4-piperidyl)piperidin-1-ium-3-yl]methanol Formula: C26H36FN2O+ MolecularWeight: 411.575243

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)C2CCN(CC2)CCC3=CC=CC=C3)(CC4=CC=C(C=C4)F)CO

Isomeric SMILES

C1C[C@@](C[NH+](C1)C2CCN(CC2)CCC3=CC=CC=C3)(CC4=CC=C(C=C4)F)CO

InChI

InChI=1S/C26H35FN2O/c27-24-9-7-23(8-10-24)19-26(21-30)14-4-15-29(20-26)25-12-17-28(18-13-25)16-11-22-5-2-1-3-6-22/h1-3,5-10,25,30H,4,11-21H2/p+1/t26-/m0/s1