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

Systemtic Name: 2-isoquinolin-2-ium-2-yl-N-(2-methoxy-4-nitro-phenyl)ethanamide chloride Openeye Name: 2-isoquinolin-2-ium-2-yl-N-(2-methoxy-4-nitro-phenyl)acetamide chloride CAS Name: 2-(2-isoquinolin-2-iumyl)-N-(2-methoxy-4-nitrophenyl)acetamide chloride IUPAC Name: 2-isoquinolin-2-ium-2-yl-N-(2-methoxy-4-nitrophenyl)acetamide chloride Traditional Name: 2-isoquinolin-2-ium-2-yl-N-(2-methoxy-4-nitro-phenyl)acetamide chloride Formula: C18H16ClN3O4 MolecularWeight: 373.79034

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)C[N+]2=CC3=CC=CC=C3C=C2.[Cl-]

Isomeric SMILES

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)C[N+]2=CC3=CC=CC=C3C=C2.[Cl-]

InChI

InChI=1S/C18H15N3O4.ClH/c1-25-17-10-15(21(23)24)6-7-16(17)19-18(22)12-20-9-8-13-4-2-3-5-14(13)11-20;/h2-11H,12H2,1H3;1H