6,7-dimethoxy-1-[(E)-2-(4-methylphenyl)ethenyl]-3,4-dihydroisoquinolin-2-ium chloride

Systemtic Name: 6,7-dimethoxy-1-[(E)-2-(4-methylphenyl)ethenyl]-3,4-dihydroisoquinolin-2-ium chloride Openeye Name: 6,7-dimethoxy-1-[(E)-2-(p-tolyl)vinyl]-3,4-dihydroisoquinolin-2-ium chloride CAS Name: 6,7-dimethoxy-1-[(E)-2-(4-methylphenyl)ethenyl]-3,4-dihydroisoquinolin-2-ium chloride IUPAC Name: 6,7-dimethoxy-1-[(E)-2-(4-methylphenyl)ethenyl]-3,4-dihydroisoquinolin-2-ium chloride Traditional Name: 6,7-dimethoxy-1-[(E)-2-(p-tolyl)vinyl]-3,4-dihydroisoquinolin-2-ium chloride Formula: C20H22ClNO2 MolecularWeight: 343.84718

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C=CC2=[NH+]CCC3=CC(=C(C=C32)OC)OC.[Cl-]

Isomeric SMILES

CC1=CC=C(C=C1)/C=C/C2=[NH+]CCC3=CC(=C(C=C32)OC)OC.[Cl-]

InChI

InChI=1S/C20H21NO2.ClH/c1-14-4-6-15(7-5-14)8-9-18-17-13-20(23-3)19(22-2)12-16(17)10-11-21-18;/h4-9,12-13H,10-11H2,1-3H3;1H/b9-8+;