1-(3-ethylisoquinolin-2-ium-2-yl)propan-2-one

Systemtic Name: 1-(3-ethylisoquinolin-2-ium-2-yl)propan-2-one Openeye Name: 1-(3-ethylisoquinolin-2-ium-2-yl)propan-2-one CAS Name: 1-(3-ethyl-2-isoquinolin-2-iumyl)-2-propanone IUPAC Name: 1-(3-ethylisoquinolin-2-ium-2-yl)propan-2-one Traditional Name: 1-(3-ethylisoquinolin-2-ium-2-yl)acetone Formula: C14H16NO+ MolecularWeight: 214.28294

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=CC=CC=C2C=[N+]1CC(=O)C

Isomeric SMILES

CCC1=CC2=CC=CC=C2C=[N+]1CC(=O)C

InChI

InChI=1S/C14H16NO/c1-3-14-8-12-6-4-5-7-13(12)10-15(14)9-11(2)16/h4-8,10H,3,9H2,1-2H3/q+1