1-[5-(hydroxymethyl)-2-methyl-3-oxidanyl-pyridin-4-yl]-1,2,3,4-tetrahydroisoquinoline-6,7-diol

Systemtic Name: 1-[5-(hydroxymethyl)-2-methyl-3-oxidanyl-pyridin-4-yl]-1,2,3,4-tetrahydroisoquinoline-6,7-diol Openeye Name: 1-[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridyl]-1,2,3,4-tetrahydroisoquinoline-6,7-diol CAS Name: 1-[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]-1,2,3,4-tetrahydroisoquinoline-6,7-diol IUPAC Name: 1-[3-hydroxy-5-(hydroxymethyl)-2-methylpyridin-4-yl]-1,2,3,4-tetrahydroisoquinoline-6,7-diol Traditional Name: 1-(3-hydroxy-2-methyl-5-methylol-4-pyridyl)-1,2,3,4-tetrahydroisoquinoline-6,7-diol Formula: C16H18N2O4 MolecularWeight: 302.32512

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C(=C1O)C2C3=CC(=C(C=C3CCN2)O)O)CO

Isomeric SMILES

CC1=NC=C(C(=C1O)C2C3=CC(=C(C=C3CCN2)O)O)CO

InChI

InChI=1S/C16H18N2O4/c1-8-16(22)14(10(7-19)6-18-8)15-11-5-13(21)12(20)4-9(11)2-3-17-15/h4-6,15,17,19-22H,2-3,7H2,1H3