(2S,3S)-2-(4-ethoxyphenyl)-3-(4-fluorophenyl)-1-phenyl-4-piperidin-1-ium-1-yl-butan-2-ol

Systemtic Name: (2S,3S)-2-(4-ethoxyphenyl)-3-(4-fluorophenyl)-1-phenyl-4-piperidin-1-ium-1-yl-butan-2-ol Openeye Name: (2S,3S)-2-(4-ethoxyphenyl)-3-(4-fluorophenyl)-1-phenyl-4-piperidin-1-ium-1-yl-butan-2-ol CAS Name: (2S,3S)-2-(4-ethoxyphenyl)-3-(4-fluorophenyl)-1-phenyl-4-(1-piperidin-1-iumyl)-2-butanol IUPAC Name: (2S,3S)-2-(4-ethoxyphenyl)-3-(4-fluorophenyl)-1-phenyl-4-piperidin-1-ium-1-ylbutan-2-ol Traditional Name: (2S,3S)-3-(4-fluorophenyl)-1-phenyl-4-piperidin-1-ium-1-yl-2-p-phenetyl-butan-2-ol Formula: C29H35FNO2+ MolecularWeight: 448.592103

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(CC2=CC=CC=C2)(C(C[NH+]3CCCCC3)C4=CC=C(C=C4)F)O

Isomeric SMILES

CCOC1=CC=C(C=C1)[C@](CC2=CC=CC=C2)([C@H](C[NH+]3CCCCC3)C4=CC=C(C=C4)F)O

InChI

InChI=1S/C29H34FNO2/c1-2-33-27-17-13-25(14-18-27)29(32,21-23-9-5-3-6-10-23)28(22-31-19-7-4-8-20-31)24-11-15-26(30)16-12-24/h3,5-6,9-18,28,32H,2,4,7-8,19-22H2,1H3/p+1/t28-,29-/m1/s1