ethyl 2-isoquinolin-2-ium-2-ylethanoate

Systemtic Name: ethyl 2-isoquinolin-2-ium-2-ylethanoate Openeye Name: ethyl 2-isoquinolin-2-ium-2-ylacetate CAS Name: 2-(2-isoquinolin-2-iumyl)acetic acid ethyl ester IUPAC Name: ethyl 2-isoquinolin-2-ium-2-ylacetate Traditional Name: 2-isoquinolin-2-ium-2-ylacetic acid ethyl ester Formula: C13H14NO2+ MolecularWeight: 216.25576

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C[N+]1=CC2=CC=CC=C2C=C1

Isomeric SMILES

CCOC(=O)C[N+]1=CC2=CC=CC=C2C=C1

InChI

InChI=1S/C13H14NO2/c1-2-16-13(15)10-14-8-7-11-5-3-4-6-12(11)9-14/h3-9H,2,10H2,1H3/q+1