N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-methylquinolin-1-ium-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-methylquinolin-1-ium-2-yl)sulfanyl-ethanamide Openeye Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-methylquinolin-1-ium-2-yl)sulfanyl-acetamide CAS Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(4-methyl-2-quinolin-1-iumyl)thio]acetamide IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-methylquinolin-1-ium-2-yl)sulfanylacetamide Traditional Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(4-methylquinolin-1-ium-2-yl)thio]acetamide Formula: C20H19N2O3S+ MolecularWeight: 367.44146

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[NH+]C2=CC=CC=C12)SCC(=O)NC3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CC1=CC(=[NH+]C2=CC=CC=C12)SCC(=O)NC3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C20H18N2O3S/c1-13-10-20(22-16-5-3-2-4-15(13)16)26-12-19(23)21-14-6-7-17-18(11-14)25-9-8-24-17/h2-7,10-11H,8-9,12H2,1H3,(H,21,23)/p+1