(2S,3S)-3-(4-butoxyphenyl)-2-(4-fluorophenyl)-1-piperidin-1-ium-1-yl-pentan-3-ol

Systemtic Name: (2S,3S)-3-(4-butoxyphenyl)-2-(4-fluorophenyl)-1-piperidin-1-ium-1-yl-pentan-3-ol Openeye Name: (2S,3S)-3-(4-butoxyphenyl)-2-(4-fluorophenyl)-1-piperidin-1-ium-1-yl-pentan-3-ol CAS Name: (2S,3S)-3-(4-butoxyphenyl)-2-(4-fluorophenyl)-1-(1-piperidin-1-iumyl)-3-pentanol IUPAC Name: (2S,3S)-3-(4-butoxyphenyl)-2-(4-fluorophenyl)-1-piperidin-1-ium-1-ylpentan-3-ol Traditional Name: (2S,3S)-3-(4-butoxyphenyl)-2-(4-fluorophenyl)-1-piperidin-1-ium-1-yl-pentan-3-ol Formula: C26H37FNO2+ MolecularWeight: 414.575883

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(CC)(C(C[NH+]2CCCCC2)C3=CC=C(C=C3)F)O

Isomeric SMILES

CCCCOC1=CC=C(C=C1)[C@](CC)([C@H](C[NH+]2CCCCC2)C3=CC=C(C=C3)F)O

InChI

InChI=1S/C26H36FNO2/c1-3-5-19-30-24-15-11-22(12-16-24)26(29,4-2)25(20-28-17-7-6-8-18-28)21-9-13-23(27)14-10-21/h9-16,25,29H,3-8,17-20H2,1-2H3/p+1/t25-,26-/m1/s1