isoquinolin-2-ium-1-carboxylic acid bromide

Systemtic Name: isoquinolin-2-ium-1-carboxylic acid bromide Openeye Name: isoquinolin-2-ium-1-carboxylic acid bromide CAS Name: 1-isoquinolin-2-iumcarboxylic acid bromide IUPAC Name: isoquinolin-2-ium-1-carboxylic acid bromide Traditional Name: isoquinolin-2-ium-1-carboxylic acid bromide Formula: C10H8BrNO2 MolecularWeight: 254.08002

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C[NH+]=C2C(=O)O.[Br-]

Isomeric SMILES

C1=CC=C2C(=C1)C=C[NH+]=C2C(=O)O.[Br-]

InChI

InChI=1S/C10H7NO2.BrH/c12-10(13)9-8-4-2-1-3-7(8)5-6-11-9;/h1-6H,(H,12,13);1H