N-[2-(4-chlorophenyl)sulfanylphenyl]-2-isoquinolin-2-ium-2-yl-ethanamide

Systemtic Name: N-[2-(4-chlorophenyl)sulfanylphenyl]-2-isoquinolin-2-ium-2-yl-ethanamide Openeye Name: N-[2-(4-chlorophenyl)sulfanylphenyl]-2-isoquinolin-2-ium-2-yl-acetamide CAS Name: N-[2-[(4-chlorophenyl)thio]phenyl]-2-(2-isoquinolin-2-iumyl)acetamide IUPAC Name: N-[2-(4-chlorophenyl)sulfanylphenyl]-2-isoquinolin-2-ium-2-ylacetamide Traditional Name: N-[2-[(4-chlorophenyl)thio]phenyl]-2-isoquinolin-2-ium-2-yl-acetamide Formula: C23H18ClN2OS+ MolecularWeight: 405.91982

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=[N+](C=CC2=C1)CC(=O)NC3=CC=CC=C3SC4=CC=C(C=C4)Cl

Isomeric SMILES

C1=CC=C2C=[N+](C=CC2=C1)CC(=O)NC3=CC=CC=C3SC4=CC=C(C=C4)Cl

InChI

InChI=1S/C23H17ClN2OS/c24-19-9-11-20(12-10-19)28-22-8-4-3-7-21(22)25-23(27)16-26-14-13-17-5-1-2-6-18(17)15-26/h1-15H,16H2/p+1