ethyl 2-azanylisoquinolin-2-ium-3-carboxylate

Systemtic Name: ethyl 2-azanylisoquinolin-2-ium-3-carboxylate Openeye Name: ethyl 2-aminoisoquinolin-2-ium-3-carboxylate CAS Name: 2-amino-3-isoquinolin-2-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 2-aminoisoquinolin-2-ium-3-carboxylate Traditional Name: 2-aminoisoquinolin-2-ium-3-carboxylic acid ethyl ester Formula: C12H13N2O2+ MolecularWeight: 217.24382

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12N2O2/c1-2-16-12(15)11-7-9-5-3-4-6-10(9)8-14(11)13/h3-8H,2H2,1H3,(H-,13,15)/p+1