4-(3,4-dihydro-1H-isochromen-7-yl)-1-[2-(3-methyl-4-oxidanyl-phenyl)-2-oxidanyl-ethyl]piperidin-4-ol; methanesulfonic acid

Systemtic Name: 4-(3,4-dihydro-1H-isochromen-7-yl)-1-[2-(3-methyl-4-oxidanyl-phenyl)-2-oxidanyl-ethyl]piperidin-4-ol; methanesulfonic acid Openeye Name: 1-[2-hydroxy-2-(4-hydroxy-3-methyl-phenyl)ethyl]-4-isochroman-7-yl-piperidin-4-ol; methanesulfonic acid CAS Name: 4-(3,4-dihydro-1H-2-benzopyran-7-yl)-1-[2-hydroxy-2-(4-hydroxy-3-methylphenyl)ethyl]-4-piperidinol; methanesulfonic acid IUPAC Name: 4-(3,4-dihydro-1H-isochromen-7-yl)-1-[2-hydroxy-2-(4-hydroxy-3-methylphenyl)ethyl]piperidin-4-ol; methanesulfonic acid Traditional Name: 1-[2-hydroxy-2-(4-hydroxy-3-methyl-phenyl)ethyl]-4-isochroman-7-yl-piperidin-4-ol; mesylic acid Formula: C24H33NO7S MolecularWeight: 479.58632

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(CN2CCC(CC2)(C3=CC4=C(CCOC4)C=C3)O)O)O.CS(=O)(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)C(CN2CCC(CC2)(C3=CC4=C(CCOC4)C=C3)O)O)O.CS(=O)(=O)O

InChI

InChI=1S/C23H29NO4.CH4O3S/c1-16-12-18(3-5-21(16)25)22(26)14-24-9-7-23(27,8-10-24)20-4-2-17-6-11-28-15-19(17)13-20;1-5(2,3)4/h2-5,12-13,22,25-27H,6-11,14-15H2,1H3;1H3,(H,2,3,4)