(1S)-6,7-dimethoxy-1-pyridin-4-yl-1,2,3,4-tetrahydroisoquinolin-2-ium

Systemtic Name: (1S)-6,7-dimethoxy-1-pyridin-4-yl-1,2,3,4-tetrahydroisoquinolin-2-ium Openeye Name: (1S)-6,7-dimethoxy-1-(4-pyridyl)-1,2,3,4-tetrahydroisoquinolin-2-ium CAS Name: (1S)-6,7-dimethoxy-1-pyridin-4-yl-1,2,3,4-tetrahydroisoquinolin-2-ium IUPAC Name: (1S)-6,7-dimethoxy-1-pyridin-4-yl-1,2,3,4-tetrahydroisoquinolin-2-ium Traditional Name: (1S)-6,7-dimethoxy-1-(4-pyridyl)-1,2,3,4-tetrahydroisoquinolin-2-ium Formula: C16H19N2O2+ MolecularWeight: 271.33426

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C([NH2+]CCC2=C1)C3=CC=NC=C3)OC

Isomeric SMILES

COC1=C(C=C2[C@@H]([NH2+]CCC2=C1)C3=CC=NC=C3)OC

InChI

InChI=1S/C16H18N2O2/c1-19-14-9-12-5-8-18-16(11-3-6-17-7-4-11)13(12)10-15(14)20-2/h3-4,6-7,9-10,16,18H,5,8H2,1-2H3/p+1/t16-/m0/s1