N-(4-acetamidophenyl)-2-isoquinolin-2-ium-2-yl-ethanamide

Systemtic Name: N-(4-acetamidophenyl)-2-isoquinolin-2-ium-2-yl-ethanamide Openeye Name: N-(4-acetamidophenyl)-2-isoquinolin-2-ium-2-yl-acetamide CAS Name: N-(4-acetamidophenyl)-2-(2-isoquinolin-2-iumyl)acetamide IUPAC Name: N-(4-acetamidophenyl)-2-isoquinolin-2-ium-2-ylacetamide Traditional Name: N-(4-acetamidophenyl)-2-isoquinolin-2-ium-2-yl-acetamide Formula: C19H18N3O2+ MolecularWeight: 320.36512

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)NC(=O)C[N+]2=CC3=CC=CC=C3C=C2

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)NC(=O)C[N+]2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C19H17N3O2/c1-14(23)20-17-6-8-18(9-7-17)21-19(24)13-22-11-10-15-4-2-3-5-16(15)12-22/h2-12H,13H2,1H3,(H-,20,21,23,24)/p+1