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

Systemtic Name: 1-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-oxidanyl-ethyl]-4-phenyl-piperidin-4-ol; methanesulfonic acid Openeye Name: 1-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-hydroxy-ethyl]-4-phenyl-piperidin-4-ol; methanesulfonic acid CAS Name: 1-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-hydroxyethyl]-4-phenyl-4-piperidinol; methanesulfonic acid IUPAC Name: 1-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-hydroxyethyl]-4-phenylpiperidin-4-ol; methanesulfonic acid Traditional Name: 1-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-hydroxy-ethyl]-4-phenyl-piperidin-4-ol; mesylic acid Formula: C22H29NO7S MolecularWeight: 451.53316

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)O.C1CN(CCC1(C2=CC=CC=C2)O)CC(C3COC4=CC=CC=C4O3)O

Isomeric SMILES

CS(=O)(=O)O.C1CN(CCC1(C2=CC=CC=C2)O)CC(C3COC4=CC=CC=C4O3)O

InChI

InChI=1S/C21H25NO4.CH4O3S/c23-17(20-15-25-18-8-4-5-9-19(18)26-20)14-22-12-10-21(24,11-13-22)16-6-2-1-3-7-16;1-5(2,3)4/h1-9,17,20,23-24H,10-15H2;1H3,(H,2,3,4)