1-isoquinolin-2-ium-2-yl-3,3-dimethyl-butan-2-one bromide

Systemtic Name: 1-isoquinolin-2-ium-2-yl-3,3-dimethyl-butan-2-one bromide Openeye Name: 1-isoquinolin-2-ium-2-yl-3,3-dimethyl-butan-2-one bromide CAS Name: 1-(2-isoquinolin-2-iumyl)-3,3-dimethyl-2-butanone bromide IUPAC Name: 1-isoquinolin-2-ium-2-yl-3,3-dimethylbutan-2-one bromide Traditional Name: 1-isoquinolin-2-ium-2-yl-3,3-dimethyl-butan-2-one bromide Formula: C15H18BrNO MolecularWeight: 308.21352

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)C[N+]1=CC2=CC=CC=C2C=C1.[Br-]

Isomeric SMILES

CC(C)(C)C(=O)C[N+]1=CC2=CC=CC=C2C=C1.[Br-]

InChI

InChI=1S/C15H18NO.BrH/c1-15(2,3)14(17)11-16-9-8-12-6-4-5-7-13(12)10-16;/h4-10H,11H2,1-3H3;1H/q+1;/p-1