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

Systemtic Name: (2S,3S)-3-(4-butoxyphenyl)-2-(4-fluorophenyl)-4-methyl-1-piperidin-1-ium-1-yl-pentan-3-ol Openeye Name: (2S,3S)-3-(4-butoxyphenyl)-2-(4-fluorophenyl)-4-methyl-1-piperidin-1-ium-1-yl-pentan-3-ol CAS Name: (2S,3S)-3-(4-butoxyphenyl)-2-(4-fluorophenyl)-4-methyl-1-(1-piperidin-1-iumyl)-3-pentanol IUPAC Name: (2S,3S)-3-(4-butoxyphenyl)-2-(4-fluorophenyl)-4-methyl-1-piperidin-1-ium-1-ylpentan-3-ol Traditional Name: (2S,3S)-3-(4-butoxyphenyl)-2-(4-fluorophenyl)-4-methyl-1-piperidin-1-ium-1-yl-pentan-3-ol Formula: C27H39FNO2+ MolecularWeight: 428.602463

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H38FNO2/c1-4-5-19-31-25-15-11-23(12-16-25)27(30,21(2)3)26(20-29-17-7-6-8-18-29)22-9-13-24(28)14-10-22/h9-16,21,26,30H,4-8,17-20H2,1-3H3/p+1/t26-,27-/m1/s1