2-(3-ethyl-5-nitro-isoquinolin-2-ium-2-yl)-1-phenyl-ethanone

Systemtic Name: 2-(3-ethyl-5-nitro-isoquinolin-2-ium-2-yl)-1-phenyl-ethanone Openeye Name: 2-(3-ethyl-5-nitro-isoquinolin-2-ium-2-yl)-1-phenyl-ethanone CAS Name: 2-(3-ethyl-5-nitro-2-isoquinolin-2-iumyl)-1-phenylethanone IUPAC Name: 2-(3-ethyl-5-nitroisoquinolin-2-ium-2-yl)-1-phenylethanone Traditional Name: 2-(3-ethyl-5-nitro-isoquinolin-2-ium-2-yl)-1-phenyl-ethanone Formula: C19H17N2O3+ MolecularWeight: 321.34988

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=[N+](C=C2C=CC=C(C2=C1)[N+](=O)[O-])CC(=O)C3=CC=CC=C3

Isomeric SMILES

CCC1=[N+](C=C2C=CC=C(C2=C1)[N+](=O)[O-])CC(=O)C3=CC=CC=C3

InChI

InChI=1S/C19H17N2O3/c1-2-16-11-17-15(9-6-10-18(17)21(23)24)12-20(16)13-19(22)14-7-4-3-5-8-14/h3-12H,2,13H2,1H3/q+1