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

Systemtic Name: ethyl 2-(2-methyl-4-phenyl-quinolin-1-ium-3-yl)sulfanylethanoate Openeye Name: ethyl 2-(2-methyl-4-phenyl-quinolin-1-ium-3-yl)sulfanylacetate CAS Name: 2-[(2-methyl-4-phenyl-3-quinolin-1-iumyl)thio]acetic acid ethyl ester IUPAC Name: ethyl 2-(2-methyl-4-phenylquinolin-1-ium-3-yl)sulfanylacetate Traditional Name: 2-[(2-methyl-4-phenyl-quinolin-1-ium-3-yl)thio]acetic acid ethyl ester Formula: C20H20NO2S+ MolecularWeight: 338.4433

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=C(C2=CC=CC=C2[NH+]=C1C)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)CSC1=C(C2=CC=CC=C2[NH+]=C1C)C3=CC=CC=C3

InChI

InChI=1S/C20H19NO2S/c1-3-23-18(22)13-24-20-14(2)21-17-12-8-7-11-16(17)19(20)15-9-5-4-6-10-15/h4-12H,3,13H2,1-2H3/p+1