methyl 2-(6,7-dimethoxy-3,3-dimethyl-4H-isoquinolin-2-ium-2-yl)ethanoate

Systemtic Name: methyl 2-(6,7-dimethoxy-3,3-dimethyl-4H-isoquinolin-2-ium-2-yl)ethanoate Openeye Name: methyl 2-(6,7-dimethoxy-3,3-dimethyl-4H-isoquinolin-2-ium-2-yl)acetate CAS Name: 2-(6,7-dimethoxy-3,3-dimethyl-4H-isoquinolin-2-ium-2-yl)acetic acid methyl ester IUPAC Name: methyl 2-(6,7-dimethoxy-3,3-dimethyl-4H-isoquinolin-2-ium-2-yl)acetate Traditional Name: 2-(6,7-dimethoxy-3,3-dimethyl-4H-isoquinolin-2-ium-2-yl)acetic acid methyl ester Formula: C16H22NO4+ MolecularWeight: 292.35018

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=CC(=C(C=C2C=[N+]1CC(=O)OC)OC)OC)C

Isomeric SMILES

CC1(CC2=CC(=C(C=C2C=[N+]1CC(=O)OC)OC)OC)C

InChI

InChI=1S/C16H22NO4/c1-16(2)8-11-6-13(19-3)14(20-4)7-12(11)9-17(16)10-15(18)21-5/h6-7,9H,8,10H2,1-5H3/q+1