ethyl 2-(6-chloranyl-2,4-diphenyl-quinolin-1-ium-3-yl)sulfanylethanoate chloride

Systemtic Name: ethyl 2-(6-chloranyl-2,4-diphenyl-quinolin-1-ium-3-yl)sulfanylethanoate chloride Openeye Name: ethyl 2-(6-chloro-2,4-diphenyl-quinolin-1-ium-3-yl)sulfanylacetate chloride CAS Name: 2-[(6-chloro-2,4-diphenyl-3-quinolin-1-iumyl)thio]acetic acid ethyl ester chloride IUPAC Name: ethyl 2-(6-chloro-2,4-diphenylquinolin-1-ium-3-yl)sulfanylacetate chloride Traditional Name: 2-[(6-chloro-2,4-diphenyl-quinolin-1-ium-3-yl)thio]acetic acid ethyl ester chloride Formula: C25H21Cl2NO2S MolecularWeight: 470.41074

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=C([NH+]=C2C=CC(=CC2=C1C3=CC=CC=C3)Cl)C4=CC=CC=C4.[Cl-]

Isomeric SMILES

CCOC(=O)CSC1=C([NH+]=C2C=CC(=CC2=C1C3=CC=CC=C3)Cl)C4=CC=CC=C4.[Cl-]

InChI

InChI=1S/C25H20ClNO2S.ClH/c1-2-29-22(28)16-30-25-23(17-9-5-3-6-10-17)20-15-19(26)13-14-21(20)27-24(25)18-11-7-4-8-12-18;/h3-15H,2,16H2,1H3;1H