1-[1-(4-hydroxyphenyl)-1-oxidanyl-propan-2-yl]-4-phenyl-piperidin-4-ol; methanesulfonic acid; trihydrate

Systemtic Name: 1-[1-(4-hydroxyphenyl)-1-oxidanyl-propan-2-yl]-4-phenyl-piperidin-4-ol; methanesulfonic acid; trihydrate Openeye Name: 1-[2-hydroxy-2-(4-hydroxyphenyl)-1-methyl-ethyl]-4-phenyl-piperidin-4-ol; methanesulfonic acid; trihydrate CAS Name: 1-[1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]-4-phenyl-4-piperidinol; methanesulfonic acid; trihydrate IUPAC Name: 1-[1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]-4-phenylpiperidin-4-ol; methanesulfonic acid; trihydrate Traditional Name: 1-[2-hydroxy-2-(4-hydroxyphenyl)-1-methyl-ethyl]-4-phenyl-piperidin-4-ol; mesylic acid; trihydrate Formula: C21H35NO9S MolecularWeight: 477.5689

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25NO3.CH4O3S.3H2O/c1-15(19(23)16-7-9-18(22)10-8-16)21-13-11-20(24,12-14-21)17-5-3-2-4-6-17;1-5(2,3)4;;;/h2-10,15,19,22-24H,11-14H2,1H3;1H3,(H,2,3,4);3*1H2