ethyl 2-(6-chloranyl-2-methyl-4-phenyl-quinolin-1-ium-3-yl)sulfanylethanoate chloride

Systemtic Name: ethyl 2-(6-chloranyl-2-methyl-4-phenyl-quinolin-1-ium-3-yl)sulfanylethanoate chloride Openeye Name: ethyl 2-(6-chloro-2-methyl-4-phenyl-quinolin-1-ium-3-yl)sulfanylacetate chloride CAS Name: 2-[(6-chloro-2-methyl-4-phenyl-3-quinolin-1-iumyl)thio]acetic acid ethyl ester chloride IUPAC Name: ethyl 2-(6-chloro-2-methyl-4-phenylquinolin-1-ium-3-yl)sulfanylacetate chloride Traditional Name: 2-[(6-chloro-2-methyl-4-phenyl-quinolin-1-ium-3-yl)thio]acetic acid ethyl ester chloride Formula: C20H19Cl2NO2S MolecularWeight: 408.34136

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=C([NH+]=C2C=CC(=CC2=C1C3=CC=CC=C3)Cl)C.[Cl-]

Isomeric SMILES

CCOC(=O)CSC1=C([NH+]=C2C=CC(=CC2=C1C3=CC=CC=C3)Cl)C.[Cl-]

InChI

InChI=1S/C20H18ClNO2S.ClH/c1-3-24-18(23)12-25-20-13(2)22-17-10-9-15(21)11-16(17)19(20)14-7-5-4-6-8-14;/h4-11H,3,12H2,1-2H3;1H