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

Systemtic Name: (2S,3S)-2-(4-butoxyphenyl)-3-(4-fluorophenyl)-1-phenyl-4-piperidin-1-ium-1-yl-butan-2-ol Openeye Name: (2S,3S)-2-(4-butoxyphenyl)-3-(4-fluorophenyl)-1-phenyl-4-piperidin-1-ium-1-yl-butan-2-ol CAS Name: (2S,3S)-2-(4-butoxyphenyl)-3-(4-fluorophenyl)-1-phenyl-4-(1-piperidin-1-iumyl)-2-butanol IUPAC Name: (2S,3S)-2-(4-butoxyphenyl)-3-(4-fluorophenyl)-1-phenyl-4-piperidin-1-ium-1-ylbutan-2-ol Traditional Name: (2S,3S)-2-(4-butoxyphenyl)-3-(4-fluorophenyl)-1-phenyl-4-piperidin-1-ium-1-yl-butan-2-ol Formula: C31H39FNO2+ MolecularWeight: 476.645263

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(CC2=CC=CC=C2)(C(C[NH+]3CCCCC3)C4=CC=C(C=C4)F)O

Isomeric SMILES

CCCCOC1=CC=C(C=C1)[C@](CC2=CC=CC=C2)([C@H](C[NH+]3CCCCC3)C4=CC=C(C=C4)F)O

InChI

InChI=1S/C31H38FNO2/c1-2-3-22-35-29-18-14-27(15-19-29)31(34,23-25-10-6-4-7-11-25)30(24-33-20-8-5-9-21-33)26-12-16-28(32)17-13-26/h4,6-7,10-19,30,34H,2-3,5,8-9,20-24H2,1H3/p+1/t30-,31-/m1/s1