N-[4-chloranyl-3-(trifluoromethyl)phenyl]-2-(7-methoxy-4-methyl-quinolin-1-ium-2-yl)sulfanyl-ethanamide

Systemtic Name: N-[4-chloranyl-3-(trifluoromethyl)phenyl]-2-(7-methoxy-4-methyl-quinolin-1-ium-2-yl)sulfanyl-ethanamide Openeye Name: N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(7-methoxy-4-methyl-quinolin-1-ium-2-yl)sulfanyl-acetamide CAS Name: N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[(7-methoxy-4-methyl-2-quinolin-1-iumyl)thio]acetamide IUPAC Name: N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(7-methoxy-4-methylquinolin-1-ium-2-yl)sulfanylacetamide Traditional Name: N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[(7-methoxy-4-methyl-quinolin-1-ium-2-yl)thio]acetamide Formula: C20H17ClF3N2O2S+ MolecularWeight: 441.87439

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H16ClF3N2O2S/c1-11-7-19(26-17-9-13(28-2)4-5-14(11)17)29-10-18(27)25-12-3-6-16(21)15(8-12)20(22,23)24/h3-9H,10H2,1-2H3,(H,25,27)/p+1