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

Systemtic Name: ethyl 2-(1-phenylquinolin-1-ium-2-yl)sulfanylethanoate Openeye Name: ethyl 2-(1-phenylquinolin-1-ium-2-yl)sulfanylacetate CAS Name: 2-[(1-phenyl-2-quinolin-1-iumyl)thio]acetic acid ethyl ester IUPAC Name: ethyl 2-(1-phenylquinolin-1-ium-2-yl)sulfanylacetate Traditional Name: 2-[(1-phenylquinolin-1-ium-2-yl)thio]acetic acid ethyl ester Formula: C19H18NO2S+ MolecularWeight: 324.41672

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18NO2S/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/q+1