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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C=CC2=CC=CC=C12)CC(=O)C.[Br-]

Isomeric SMILES

CC1=[N+](C=CC2=CC=CC=C12)CC(=O)C.[Br-]

InChI

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