6,7-dimethoxy-3-methyl-1-(4-methylphenyl)-2-pyridin-3-yl-isoquinolin-2-ium chloride

Systemtic Name: 6,7-dimethoxy-3-methyl-1-(4-methylphenyl)-2-pyridin-3-yl-isoquinolin-2-ium chloride Openeye Name: 6,7-dimethoxy-3-methyl-1-(p-tolyl)-2-(3-pyridyl)isoquinolin-2-ium chloride CAS Name: 6,7-dimethoxy-3-methyl-1-(4-methylphenyl)-2-(3-pyridinyl)isoquinolin-2-ium chloride IUPAC Name: 6,7-dimethoxy-3-methyl-1-(4-methylphenyl)-2-pyridin-3-ylisoquinolin-2-ium chloride Traditional Name: 6,7-dimethoxy-3-methyl-1-(p-tolyl)-2-(3-pyridyl)isoquinolin-2-ium chloride Formula: C24H23ClN2O2 MolecularWeight: 406.90462

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=[N+](C(=CC3=CC(=C(C=C32)OC)OC)C)C4=CN=CC=C4.[Cl-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=[N+](C(=CC3=CC(=C(C=C32)OC)OC)C)C4=CN=CC=C4.[Cl-]

InChI

InChI=1S/C24H23N2O2.ClH/c1-16-7-9-18(10-8-16)24-21-14-23(28-4)22(27-3)13-19(21)12-17(2)26(24)20-6-5-11-25-15-20;/h5-15H,1-4H3;1H/q+1;/p-1