N-(2-ethyl-6-methyl-phenyl)-2-isoquinolin-2-ium-2-yl-ethanamide

Systemtic Name: N-(2-ethyl-6-methyl-phenyl)-2-isoquinolin-2-ium-2-yl-ethanamide Openeye Name: N-(2-ethyl-6-methyl-phenyl)-2-isoquinolin-2-ium-2-yl-acetamide CAS Name: N-(2-ethyl-6-methylphenyl)-2-(2-isoquinolin-2-iumyl)acetamide IUPAC Name: N-(2-ethyl-6-methylphenyl)-2-isoquinolin-2-ium-2-ylacetamide Traditional Name: N-(2-ethyl-6-methyl-phenyl)-2-isoquinolin-2-ium-2-yl-acetamide Formula: C20H21N2O+ MolecularWeight: 305.39354

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)C[N+]2=CC3=CC=CC=C3C=C2)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)C[N+]2=CC3=CC=CC=C3C=C2)C

InChI

InChI=1S/C20H20N2O/c1-3-16-10-6-7-15(2)20(16)21-19(23)14-22-12-11-17-8-4-5-9-18(17)13-22/h4-13H,3,14H2,1-2H3/p+1