4-(4-fluorophenyl)-1-[(1R,2R)-1-(3-methyl-4-oxidanyl-phenyl)-1-oxidanyl-propan-2-yl]piperidin-4-ol; methanesulfonic acid

Systemtic Name: 4-(4-fluorophenyl)-1-[(1R,2R)-1-(3-methyl-4-oxidanyl-phenyl)-1-oxidanyl-propan-2-yl]piperidin-4-ol; methanesulfonic acid Openeye Name: 4-(4-fluorophenyl)-1-[(1R,2R)-2-hydroxy-2-(4-hydroxy-3-methyl-phenyl)-1-methyl-ethyl]piperidin-4-ol; methanesulfonic acid CAS Name: 4-(4-fluorophenyl)-1-[(1R,2R)-1-hydroxy-1-(4-hydroxy-3-methylphenyl)propan-2-yl]-4-piperidinol; methanesulfonic acid IUPAC Name: 4-(4-fluorophenyl)-1-[(1R,2R)-1-hydroxy-1-(4-hydroxy-3-methylphenyl)propan-2-yl]piperidin-4-ol; methanesulfonic acid Traditional Name: 4-(4-fluorophenyl)-1-[(1R,2R)-2-hydroxy-2-(4-hydroxy-3-methyl-phenyl)-1-methyl-ethyl]piperidin-4-ol; mesylic acid Formula: C22H30FNO6S MolecularWeight: 455.540103

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(C(C)N2CCC(CC2)(C3=CC=C(C=C3)F)O)O)O.CS(=O)(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)[C@H]([C@@H](C)N2CCC(CC2)(C3=CC=C(C=C3)F)O)O)O.CS(=O)(=O)O

InChI

InChI=1S/C21H26FNO3.CH4O3S/c1-14-13-16(3-8-19(14)24)20(25)15(2)23-11-9-21(26,10-12-23)17-4-6-18(22)7-5-17;1-5(2,3)4/h3-8,13,15,20,24-26H,9-12H2,1-2H3;1H3,(H,2,3,4)/t15-,20+;/m1./s1