methyl 2-(6,7-diethoxy-3,4-dihydroisoquinolin-2-ium-2-yl)ethanoate bromide

Systemtic Name: methyl 2-(6,7-diethoxy-3,4-dihydroisoquinolin-2-ium-2-yl)ethanoate bromide Openeye Name: methyl 2-(6,7-diethoxy-3,4-dihydroisoquinolin-2-ium-2-yl)acetate bromide CAS Name: 2-(6,7-diethoxy-3,4-dihydroisoquinolin-2-ium-2-yl)acetic acid methyl ester bromide IUPAC Name: methyl 2-(6,7-diethoxy-3,4-dihydroisoquinolin-2-ium-2-yl)acetate bromide Traditional Name: 2-(6,7-diethoxy-3,4-dihydroisoquinolin-2-ium-2-yl)acetic acid methyl ester bromide Formula: C16H22BrNO4 MolecularWeight: 372.25418

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C=[N+](CCC2=C1)CC(=O)OC)OCC.[Br-]

Isomeric SMILES

CCOC1=C(C=C2C=[N+](CCC2=C1)CC(=O)OC)OCC.[Br-]

InChI

InChI=1S/C16H22NO4.BrH/c1-4-20-14-8-12-6-7-17(11-16(18)19-3)10-13(12)9-15(14)21-5-2;/h8-10H,4-7,11H2,1-3H3;1H/q+1;/p-1