6-[2-[(2-tert-butylphenyl)methylamino]-1-oxidanyl-ethyl]-2-(hydroxymethyl)pyridin-3-ol dihydrochloride

Systemtic Name: 6-[2-[(2-tert-butylphenyl)methylamino]-1-oxidanyl-ethyl]-2-(hydroxymethyl)pyridin-3-ol dihydrochloride Openeye Name: 6-[2-[(2-tert-butylphenyl)methylamino]-1-hydroxy-ethyl]-2-(hydroxymethyl)pyridin-3-ol dihydrochloride CAS Name: 6-[2-[(2-tert-butylphenyl)methylamino]-1-hydroxyethyl]-2-(hydroxymethyl)-3-pyridinol dihydrochloride IUPAC Name: 6-[2-[(2-tert-butylphenyl)methylamino]-1-hydroxyethyl]-2-(hydroxymethyl)pyridin-3-ol dihydrochloride Traditional Name: 6-[2-[(2-tert-butylbenzyl)amino]-1-hydroxy-ethyl]-2-methylol-pyridin-3-ol dihydrochloride Formula: C19H28Cl2N2O3 MolecularWeight: 403.34322

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=CC=C1CNCC(C2=NC(=C(C=C2)O)CO)O.Cl.Cl

Isomeric SMILES

CC(C)(C)C1=CC=CC=C1CNCC(C2=NC(=C(C=C2)O)CO)O.Cl.Cl

InChI

InChI=1S/C19H26N2O3.2ClH/c1-19(2,3)14-7-5-4-6-13(14)10-20-11-18(24)15-8-9-17(23)16(12-22)21-15;;/h4-9,18,20,22-24H,10-12H2,1-3H3;2*1H