methanesulfonic acid; 4-(6-methoxypyridin-3-yl)-1-[2-(3-methyl-4-oxidanyl-phenyl)-2-oxidanyl-ethyl]piperidin-4-ol

Systemtic Name: methanesulfonic acid; 4-(6-methoxypyridin-3-yl)-1-[2-(3-methyl-4-oxidanyl-phenyl)-2-oxidanyl-ethyl]piperidin-4-ol Openeye Name: 1-[2-hydroxy-2-(4-hydroxy-3-methyl-phenyl)ethyl]-4-(6-methoxy-3-pyridyl)piperidin-4-ol; methanesulfonic acid CAS Name: 1-[2-hydroxy-2-(4-hydroxy-3-methylphenyl)ethyl]-4-(6-methoxy-3-pyridinyl)-4-piperidinol; methanesulfonic acid IUPAC Name: 1-[2-hydroxy-2-(4-hydroxy-3-methylphenyl)ethyl]-4-(6-methoxypyridin-3-yl)piperidin-4-ol; methanesulfonic acid Traditional Name: 1-[2-hydroxy-2-(4-hydroxy-3-methyl-phenyl)ethyl]-4-(6-methoxy-3-pyridyl)piperidin-4-ol; mesylic acid Formula: C21H30N2O7S MolecularWeight: 454.5371

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(CN2CCC(CC2)(C3=CN=C(C=C3)OC)O)O)O.CS(=O)(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)C(CN2CCC(CC2)(C3=CN=C(C=C3)OC)O)O)O.CS(=O)(=O)O

InChI

InChI=1S/C20H26N2O4.CH4O3S/c1-14-11-15(3-5-17(14)23)18(24)13-22-9-7-20(25,8-10-22)16-4-6-19(26-2)21-12-16;1-5(2,3)4/h3-6,11-12,18,23-25H,7-10,13H2,1-2H3;1H3,(H,2,3,4)