2-(2-phenylquinolin-1-ium-4-yl)sulfanylethanoic acid chloride

Systemtic Name: 2-(2-phenylquinolin-1-ium-4-yl)sulfanylethanoic acid chloride Openeye Name: 2-(2-phenylquinolin-1-ium-4-yl)sulfanylacetic acid chloride CAS Name: 2-[(2-phenyl-4-quinolin-1-iumyl)thio]acetic acid chloride IUPAC Name: 2-(2-phenylquinolin-1-ium-4-yl)sulfanylacetic acid chloride Traditional Name: 2-[(2-phenylquinolin-1-ium-4-yl)thio]acetic acid chloride Formula: C17H14ClNO2S MolecularWeight: 331.81656

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=[NH+]C3=CC=CC=C3C(=C2)SCC(=O)O.[Cl-]

Isomeric SMILES

C1=CC=C(C=C1)C2=[NH+]C3=CC=CC=C3C(=C2)SCC(=O)O.[Cl-]

InChI

InChI=1S/C17H13NO2S.ClH/c19-17(20)11-21-16-10-15(12-6-2-1-3-7-12)18-14-9-5-4-8-13(14)16;/h1-10H,11H2,(H,19,20);1H