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

Systemtic Name: (2R,3S)-2-(4-butoxyphenyl)-3-(4-fluorophenyl)-4-piperidin-1-ium-1-yl-butan-2-ol Openeye Name: (2R,3S)-2-(4-butoxyphenyl)-3-(4-fluorophenyl)-4-piperidin-1-ium-1-yl-butan-2-ol CAS Name: (2R,3S)-2-(4-butoxyphenyl)-3-(4-fluorophenyl)-4-(1-piperidin-1-iumyl)-2-butanol IUPAC Name: (2R,3S)-2-(4-butoxyphenyl)-3-(4-fluorophenyl)-4-piperidin-1-ium-1-ylbutan-2-ol Traditional Name: (2R,3S)-2-(4-butoxyphenyl)-3-(4-fluorophenyl)-4-piperidin-1-ium-1-yl-butan-2-ol Formula: C25H35FNO2+ MolecularWeight: 400.549303

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H34FNO2/c1-3-4-18-29-23-14-10-21(11-15-23)25(2,28)24(19-27-16-6-5-7-17-27)20-8-12-22(26)13-9-20/h8-15,24,28H,3-7,16-19H2,1-2H3/p+1/t24-,25+/m1/s1