1-[1-[3,5-bis(fluoranyl)-4-oxidanyl-phenyl]-1-oxidanyl-propan-2-yl]-4-phenyl-piperidin-4-ol; methanesulfonate

Systemtic Name: 1-[1-[3,5-bis(fluoranyl)-4-oxidanyl-phenyl]-1-oxidanyl-propan-2-yl]-4-phenyl-piperidin-4-ol; methanesulfonate Openeye Name: 1-[2-(3,5-difluoro-4-hydroxy-phenyl)-2-hydroxy-1-methyl-ethyl]-4-phenyl-piperidin-4-ol; methanesulfonate CAS Name: 1-[1-(3,5-difluoro-4-hydroxyphenyl)-1-hydroxypropan-2-yl]-4-phenyl-4-piperidinol; methanesulfonate IUPAC Name: 1-[1-(3,5-difluoro-4-hydroxyphenyl)-1-hydroxypropan-2-yl]-4-phenylpiperidin-4-ol; methanesulfonate Traditional Name: 1-[2-(3,5-difluoro-4-hydroxy-phenyl)-2-hydroxy-1-methyl-ethyl]-4-phenyl-piperidin-4-ol mesylate Formula: C21H26F2NO6S- MolecularWeight: 458.496046

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C1=CC(=C(C(=C1)F)O)F)O)N2CCC(CC2)(C3=CC=CC=C3)O.CS(=O)(=O)[O-]

Isomeric SMILES

CC(C(C1=CC(=C(C(=C1)F)O)F)O)N2CCC(CC2)(C3=CC=CC=C3)O.CS(=O)(=O)[O-]

InChI

InChI=1S/C20H23F2NO3.CH4O3S/c1-13(18(24)14-11-16(21)19(25)17(22)12-14)23-9-7-20(26,8-10-23)15-5-3-2-4-6-15;1-5(2,3)4/h2-6,11-13,18,24-26H,7-10H2,1H3;1H3,(H,2,3,4)/p-1