N-(1,3-benzodioxol-5-yl)-2-(7-methoxy-4-methyl-quinolin-1-ium-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-(7-methoxy-4-methyl-quinolin-1-ium-2-yl)sulfanyl-ethanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-2-(7-methoxy-4-methyl-quinolin-1-ium-2-yl)sulfanyl-acetamide CAS Name: N-(1,3-benzodioxol-5-yl)-2-[(7-methoxy-4-methyl-2-quinolin-1-iumyl)thio]acetamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-(7-methoxy-4-methylquinolin-1-ium-2-yl)sulfanylacetamide Traditional Name: N-(1,3-benzodioxol-5-yl)-2-[(7-methoxy-4-methyl-quinolin-1-ium-2-yl)thio]acetamide Formula: C20H19N2O4S+ MolecularWeight: 383.44086

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[NH+]C2=C1C=CC(=C2)OC)SCC(=O)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=CC(=[NH+]C2=C1C=CC(=C2)OC)SCC(=O)NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H18N2O4S/c1-12-7-20(22-16-9-14(24-2)4-5-15(12)16)27-10-19(23)21-13-3-6-17-18(8-13)26-11-25-17/h3-9H,10-11H2,1-2H3,(H,21,23)/p+1