ethyl 2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethanoate

Systemtic Name: ethyl 2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethanoate Openeye Name: ethyl 2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetate CAS Name: 2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetic acid ethyl ester IUPAC Name: ethyl 2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetate Traditional Name: 2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetic acid ethyl ester Formula: C13H18NO2+ MolecularWeight: 220.28752

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C[NH+]1CCC2=CC=CC=C2C1

Isomeric SMILES

CCOC(=O)C[NH+]1CCC2=CC=CC=C2C1

InChI

InChI=1S/C13H17NO2/c1-2-16-13(15)10-14-8-7-11-5-3-4-6-12(11)9-14/h3-6H,2,7-10H2,1H3/p+1