2-isoquinolin-2-ium-2-yl-N-(5-methoxy-2-methyl-4-nitro-phenyl)ethanamide

Systemtic Name: 2-isoquinolin-2-ium-2-yl-N-(5-methoxy-2-methyl-4-nitro-phenyl)ethanamide Openeye Name: 2-isoquinolin-2-ium-2-yl-N-(5-methoxy-2-methyl-4-nitro-phenyl)acetamide CAS Name: 2-(2-isoquinolin-2-iumyl)-N-(5-methoxy-2-methyl-4-nitrophenyl)acetamide IUPAC Name: 2-isoquinolin-2-ium-2-yl-N-(5-methoxy-2-methyl-4-nitrophenyl)acetamide Traditional Name: 2-isoquinolin-2-ium-2-yl-N-(5-methoxy-2-methyl-4-nitro-phenyl)acetamide Formula: C19H18N3O4+ MolecularWeight: 352.36392

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1NC(=O)C[N+]2=CC3=CC=CC=C3C=C2)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1NC(=O)C[N+]2=CC3=CC=CC=C3C=C2)OC)[N+](=O)[O-]

InChI

InChI=1S/C19H17N3O4/c1-13-9-17(22(24)25)18(26-2)10-16(13)20-19(23)12-21-8-7-14-5-3-4-6-15(14)11-21/h3-11H,12H2,1-2H3/p+1