ethyl 5-bromanylisoquinolin-2-ium-2-carboxylate chloride

Systemtic Name: ethyl 5-bromanylisoquinolin-2-ium-2-carboxylate chloride Openeye Name: ethyl 5-bromoisoquinolin-2-ium-2-carboxylate chloride CAS Name: 5-bromo-2-isoquinolin-2-iumcarboxylic acid ethyl ester chloride IUPAC Name: ethyl 5-bromoisoquinolin-2-ium-2-carboxylate chloride Traditional Name: 5-bromoisoquinolin-2-ium-2-carboxylic acid ethyl ester chloride Formula: C12H11BrClNO2 MolecularWeight: 316.57824

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)[N+]1=CC2=C(C=C1)C(=CC=C2)Br.[Cl-]

Isomeric SMILES

CCOC(=O)[N+]1=CC2=C(C=C1)C(=CC=C2)Br.[Cl-]

InChI

InChI=1S/C12H11BrNO2.ClH/c1-2-16-12(15)14-7-6-10-9(8-14)4-3-5-11(10)13;/h3-8H,2H2,1H3;1H/q+1;/p-1