(2S,3S)-3-(4-ethoxyphenyl)-2-(4-fluorophenyl)-5-methyl-1-piperidin-1-ium-1-yl-hexan-3-ol

Systemtic Name: (2S,3S)-3-(4-ethoxyphenyl)-2-(4-fluorophenyl)-5-methyl-1-piperidin-1-ium-1-yl-hexan-3-ol Openeye Name: (2S,3S)-3-(4-ethoxyphenyl)-2-(4-fluorophenyl)-5-methyl-1-piperidin-1-ium-1-yl-hexan-3-ol CAS Name: (2S,3S)-3-(4-ethoxyphenyl)-2-(4-fluorophenyl)-5-methyl-1-(1-piperidin-1-iumyl)-3-hexanol IUPAC Name: (2S,3S)-3-(4-ethoxyphenyl)-2-(4-fluorophenyl)-5-methyl-1-piperidin-1-ium-1-ylhexan-3-ol Traditional Name: (2S,3S)-2-(4-fluorophenyl)-5-methyl-1-piperidin-1-ium-1-yl-3-p-phenetyl-hexan-3-ol Formula: C26H37FNO2+ MolecularWeight: 414.575883

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(CC(C)C)(C(C[NH+]2CCCCC2)C3=CC=C(C=C3)F)O

Isomeric SMILES

CCOC1=CC=C(C=C1)[C@](CC(C)C)([C@H](C[NH+]2CCCCC2)C3=CC=C(C=C3)F)O

InChI

InChI=1S/C26H36FNO2/c1-4-30-24-14-10-22(11-15-24)26(29,18-20(2)3)25(19-28-16-6-5-7-17-28)21-8-12-23(27)13-9-21/h8-15,20,25,29H,4-7,16-19H2,1-3H3/p+1/t25-,26-/m1/s1