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

Systemtic Name: 1-[(1S,2S)-1-(4-hydroxyphenyl)-1-oxidanyl-propan-2-yl]-4-phenyl-piperidin-4-ol; methanesulfonic acid; hydrate Openeye Name: 1-[(1S,2S)-2-hydroxy-2-(4-hydroxyphenyl)-1-methyl-ethyl]-4-phenyl-piperidin-4-ol; methanesulfonic acid; hydrate CAS Name: 1-[(1S,2S)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]-4-phenyl-4-piperidinol; methanesulfonic acid; hydrate IUPAC Name: 1-[(1S,2S)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]-4-phenylpiperidin-4-ol; methanesulfonic acid; hydrate Traditional Name: 1-[(1S,2S)-2-hydroxy-2-(4-hydroxyphenyl)-1-methyl-ethyl]-4-phenyl-piperidin-4-ol; mesylic acid; hydrate Formula: C21H31NO7S MolecularWeight: 441.53834

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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

Isomeric SMILES

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

InChI

InChI=1S/C20H25NO3.CH4O3S.H2O/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);1H2/t15-,19+;;/m0../s1