2-(6,7-dimethoxy-2-oxidanidyl-isoquinolin-2-ium-4-yl)ethanoic acid

Systemtic Name: 2-(6,7-dimethoxy-2-oxidanidyl-isoquinolin-2-ium-4-yl)ethanoic acid Openeye Name: 2-(6,7-dimethoxy-2-oxido-isoquinolin-2-ium-4-yl)acetic acid CAS Name: 2-(6,7-dimethoxy-2-oxido-4-isoquinolin-2-iumyl)acetic acid IUPAC Name: 2-(6,7-dimethoxy-2-oxidoisoquinolin-2-ium-4-yl)acetic acid Traditional Name: 2-(6,7-dimethoxy-2-oxido-isoquinolin-2-ium-4-yl)acetic acid Formula: C13H13NO5 MolecularWeight: 263.24602

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C=[N+](C=C2CC(=O)O)[O-])OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C=[N+](C=C2CC(=O)O)[O-])OC

InChI

InChI=1S/C13H13NO5/c1-18-11-3-8-6-14(17)7-9(4-13(15)16)10(8)5-12(11)19-2/h3,5-7H,4H2,1-2H3,(H,15,16)