ethyl 2-(1-phenylquinolin-1-ium-2-yl)sulfanylethanoate bromide

Systemtic Name: ethyl 2-(1-phenylquinolin-1-ium-2-yl)sulfanylethanoate bromide Openeye Name: ethyl 2-(1-phenylquinolin-1-ium-2-yl)sulfanylacetate bromide CAS Name: 2-[(1-phenyl-2-quinolin-1-iumyl)thio]acetic acid ethyl ester bromide IUPAC Name: ethyl 2-(1-phenylquinolin-1-ium-2-yl)sulfanylacetate bromide Traditional Name: 2-[(1-phenylquinolin-1-ium-2-yl)thio]acetic acid ethyl ester bromide Formula: C19H18BrNO2S MolecularWeight: 404.32072

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=[N+](C2=CC=CC=C2C=C1)C3=CC=CC=C3.[Br-]

Isomeric SMILES

CCOC(=O)CSC1=[N+](C2=CC=CC=C2C=C1)C3=CC=CC=C3.[Br-]

InChI

InChI=1S/C19H18NO2S.BrH/c1-2-22-19(21)14-23-18-13-12-15-8-6-7-11-17(15)20(18)16-9-4-3-5-10-16;/h3-13H,2,14H2,1H3;1H/q+1;/p-1