N-(2,5-dimethylphenyl)-2-isoquinolin-2-ium-2-yl-ethanamide

Systemtic Name: N-(2,5-dimethylphenyl)-2-isoquinolin-2-ium-2-yl-ethanamide Openeye Name: N-(2,5-dimethylphenyl)-2-isoquinolin-2-ium-2-yl-acetamide CAS Name: N-(2,5-dimethylphenyl)-2-(2-isoquinolin-2-iumyl)acetamide IUPAC Name: N-(2,5-dimethylphenyl)-2-isoquinolin-2-ium-2-ylacetamide Traditional Name: N-(2,5-dimethylphenyl)-2-isoquinolin-2-ium-2-yl-acetamide Formula: C19H19N2O+ MolecularWeight: 291.36696

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=O)C[N+]2=CC3=CC=CC=C3C=C2

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=O)C[N+]2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C19H18N2O/c1-14-7-8-15(2)18(11-14)20-19(22)13-21-10-9-16-5-3-4-6-17(16)12-21/h3-12H,13H2,1-2H3/p+1