ethyl 2-[1-[(3,4-dimethoxyphenyl)methyl]isoquinolin-2-ium-2-yl]ethanoate

Systemtic Name: ethyl 2-[1-[(3,4-dimethoxyphenyl)methyl]isoquinolin-2-ium-2-yl]ethanoate Openeye Name: ethyl 2-[1-[(3,4-dimethoxyphenyl)methyl]isoquinolin-2-ium-2-yl]acetate CAS Name: 2-[1-[(3,4-dimethoxyphenyl)methyl]-2-isoquinolin-2-iumyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[1-[(3,4-dimethoxyphenyl)methyl]isoquinolin-2-ium-2-yl]acetate Traditional Name: 2-(1-veratrylisoquinolin-2-ium-2-yl)acetic acid ethyl ester Formula: C22H24NO4+ MolecularWeight: 366.43026

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C[N+]1=C(C2=CC=CC=C2C=C1)CC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CCOC(=O)C[N+]1=C(C2=CC=CC=C2C=C1)CC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C22H24NO4/c1-4-27-22(24)15-23-12-11-17-7-5-6-8-18(17)19(23)13-16-9-10-20(25-2)21(14-16)26-3/h5-12,14H,4,13,15H2,1-3H3/q+1