6,7-dimethoxy-1-(4-methylphenyl)-3,4-dihydroisoquinolin-2-ium

Systemtic Name: 6,7-dimethoxy-1-(4-methylphenyl)-3,4-dihydroisoquinolin-2-ium Openeye Name: 6,7-dimethoxy-1-(p-tolyl)-3,4-dihydroisoquinolin-2-ium CAS Name: 6,7-dimethoxy-1-(4-methylphenyl)-3,4-dihydroisoquinolin-2-ium IUPAC Name: 6,7-dimethoxy-1-(4-methylphenyl)-3,4-dihydroisoquinolin-2-ium Traditional Name: 6,7-dimethoxy-1-(p-tolyl)-3,4-dihydroisoquinolin-2-ium Formula: C18H20NO2+ MolecularWeight: 282.3569

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=[NH+]CCC3=CC(=C(C=C32)OC)OC

Isomeric SMILES

CC1=CC=C(C=C1)C2=[NH+]CCC3=CC(=C(C=C32)OC)OC

InChI

InChI=1S/C18H19NO2/c1-12-4-6-13(7-5-12)18-15-11-17(21-3)16(20-2)10-14(15)8-9-19-18/h4-7,10-11H,8-9H2,1-3H3/p+1