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

Systemtic Name: 1-[3-(hydroxymethyl)-2-methyl-pyridin-4-yl]-1,2,3,4-tetrahydroisoquinoline-6,7-diol Openeye Name: 1-[3-(hydroxymethyl)-2-methyl-4-pyridyl]-1,2,3,4-tetrahydroisoquinoline-6,7-diol CAS Name: 1-[3-(hydroxymethyl)-2-methyl-4-pyridinyl]-1,2,3,4-tetrahydroisoquinoline-6,7-diol IUPAC Name: 1-[3-(hydroxymethyl)-2-methylpyridin-4-yl]-1,2,3,4-tetrahydroisoquinoline-6,7-diol Traditional Name: 1-(2-methyl-3-methylol-4-pyridyl)-1,2,3,4-tetrahydroisoquinoline-6,7-diol Formula: C16H18N2O3 MolecularWeight: 286.32572

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=CC(=C1CO)C2C3=CC(=C(C=C3CCN2)O)O

Isomeric SMILES

CC1=NC=CC(=C1CO)C2C3=CC(=C(C=C3CCN2)O)O

InChI

InChI=1S/C16H18N2O3/c1-9-13(8-19)11(3-5-17-9)16-12-7-15(21)14(20)6-10(12)2-4-18-16/h3,5-7,16,18-21H,2,4,8H2,1H3