1-(3-methylisoquinolin-2-ium-2-yl)propan-2-one bromide

Systemtic Name: 1-(3-methylisoquinolin-2-ium-2-yl)propan-2-one bromide Openeye Name: 1-(3-methylisoquinolin-2-ium-2-yl)propan-2-one bromide CAS Name: 1-(3-methyl-2-isoquinolin-2-iumyl)-2-propanone bromide IUPAC Name: 1-(3-methylisoquinolin-2-ium-2-yl)propan-2-one bromide Traditional Name: 1-(3-methylisoquinolin-2-ium-2-yl)acetone bromide Formula: C13H14BrNO MolecularWeight: 280.16036

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=CC=CC=C2C=[N+]1CC(=O)C.[Br-]

Isomeric SMILES

CC1=CC2=CC=CC=C2C=[N+]1CC(=O)C.[Br-]

InChI

InChI=1S/C13H14NO.BrH/c1-10-7-12-5-3-4-6-13(12)9-14(10)8-11(2)15;/h3-7,9H,8H2,1-2H3;1H/q+1;/p-1