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

Systemtic Name: 4-(4-fluorophenyl)-1-[(1R,2R)-1-(3-methoxy-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-methoxy-phenyl)-1-methyl-ethyl]piperidin-4-ol; methanesulfonic acid CAS Name: 4-(4-fluorophenyl)-1-[(1R,2R)-1-hydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]-4-piperidinol; methanesulfonic acid IUPAC Name: 4-(4-fluorophenyl)-1-[(1R,2R)-1-hydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]piperidin-4-ol; methanesulfonic acid Traditional Name: 4-(4-fluorophenyl)-1-[(1R,2R)-2-hydroxy-2-(4-hydroxy-3-methoxy-phenyl)-1-methyl-ethyl]piperidin-4-ol; mesylic acid Formula: C22H30FNO7S MolecularWeight: 471.539503

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26FNO4.CH4O3S/c1-14(20(25)15-3-8-18(24)19(13-15)27-2)23-11-9-21(26,10-12-23)16-4-6-17(22)7-5-16;1-5(2,3)4/h3-8,13-14,20,24-26H,9-12H2,1-2H3;1H3,(H,2,3,4)/t14-,20+;/m1./s1