1-[1-(phenylmethyl)isoquinolin-2-ium-2-yl]propan-2-one

Systemtic Name: 1-[1-(phenylmethyl)isoquinolin-2-ium-2-yl]propan-2-one Openeye Name: 1-(1-benzylisoquinolin-2-ium-2-yl)propan-2-one CAS Name: 1-[1-(phenylmethyl)-2-isoquinolin-2-iumyl]-2-propanone IUPAC Name: 1-(1-benzylisoquinolin-2-ium-2-yl)propan-2-one Traditional Name: 1-(1-benzylisoquinolin-2-ium-2-yl)acetone Formula: C19H18NO+ MolecularWeight: 276.35232

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C[N+]1=C(C2=CC=CC=C2C=C1)CC3=CC=CC=C3

Isomeric SMILES

CC(=O)C[N+]1=C(C2=CC=CC=C2C=C1)CC3=CC=CC=C3

InChI

InChI=1S/C19H18NO/c1-15(21)14-20-12-11-17-9-5-6-10-18(17)19(20)13-16-7-3-2-4-8-16/h2-12H,13-14H2,1H3/q+1