ethyl 2-(4-methylsulfanylquinolin-1-ium-1-yl)ethanoate

Systemtic Name: ethyl 2-(4-methylsulfanylquinolin-1-ium-1-yl)ethanoate Openeye Name: ethyl 2-(4-methylsulfanylquinolin-1-ium-1-yl)acetate CAS Name: 2-[4-(methylthio)-1-quinolin-1-iumyl]acetic acid ethyl ester IUPAC Name: ethyl 2-(4-methylsulfanylquinolin-1-ium-1-yl)acetate Traditional Name: 2-[4-(methylthio)quinolin-1-ium-1-yl]acetic acid ethyl ester Formula: C14H16NO2S+ MolecularWeight: 262.34734

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C[N+]1=CC=C(C2=CC=CC=C21)SC

Isomeric SMILES

CCOC(=O)C[N+]1=CC=C(C2=CC=CC=C21)SC

InChI

InChI=1S/C14H16NO2S/c1-3-17-14(16)10-15-9-8-13(18-2)11-6-4-5-7-12(11)15/h4-9H,3,10H2,1-2H3/q+1