1-[3-(1,3-dioxolan-2-yl)isoquinolin-2-ium-2-yl]propan-2-one bromide

Systemtic Name: 1-[3-(1,3-dioxolan-2-yl)isoquinolin-2-ium-2-yl]propan-2-one bromide Openeye Name: 1-[3-(1,3-dioxolan-2-yl)isoquinolin-2-ium-2-yl]propan-2-one bromide CAS Name: 1-[3-(1,3-dioxolan-2-yl)-2-isoquinolin-2-iumyl]-2-propanone bromide IUPAC Name: 1-[3-(1,3-dioxolan-2-yl)isoquinolin-2-ium-2-yl]propan-2-one bromide Traditional Name: 1-[3-(1,3-dioxolan-2-yl)isoquinolin-2-ium-2-yl]acetone bromide Formula: C15H16BrNO3 MolecularWeight: 338.19644

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C[N+]1=CC2=CC=CC=C2C=C1C3OCCO3.[Br-]

Isomeric SMILES

CC(=O)C[N+]1=CC2=CC=CC=C2C=C1C3OCCO3.[Br-]

InChI

InChI=1S/C15H16NO3.BrH/c1-11(17)9-16-10-13-5-3-2-4-12(13)8-14(16)15-18-6-7-19-15;/h2-5,8,10,15H,6-7,9H2,1H3;1H/q+1;/p-1