N-[4-(2-isoquinolin-2-ium-2-ylethanoyl)phenyl]ethanamide chloride

Systemtic Name: N-[4-(2-isoquinolin-2-ium-2-ylethanoyl)phenyl]ethanamide chloride Openeye Name: N-[4-(2-isoquinolin-2-ium-2-ylacetyl)phenyl]acetamide chloride CAS Name: N-[4-[2-(2-isoquinolin-2-iumyl)-1-oxoethyl]phenyl]acetamide chloride IUPAC Name: N-[4-(2-isoquinolin-2-ium-2-ylacetyl)phenyl]acetamide chloride Traditional Name: N-[4-(2-isoquinolin-2-ium-2-ylacetyl)phenyl]acetamide chloride Formula: C19H17ClN2O2 MolecularWeight: 340.80348

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H16N2O2.ClH/c1-14(22)20-18-8-6-16(7-9-18)19(23)13-21-11-10-15-4-2-3-5-17(15)12-21;/h2-12H,13H2,1H3;1H