ethyl 8-chloranyl-4-[2-hydroxyethyl(methyl)amino]-2-methylsulfanyl-quinolin-1-ium-3-carboxylate

Systemtic Name: ethyl 8-chloranyl-4-[2-hydroxyethyl(methyl)amino]-2-methylsulfanyl-quinolin-1-ium-3-carboxylate Openeye Name: ethyl 8-chloro-4-[2-hydroxyethyl(methyl)amino]-2-methylsulfanyl-quinolin-1-ium-3-carboxylate CAS Name: 8-chloro-4-[2-hydroxyethyl(methyl)amino]-2-(methylthio)-3-quinolin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 8-chloro-4-[2-hydroxyethyl(methyl)amino]-2-methylsulfanylquinolin-1-ium-3-carboxylate Traditional Name: 8-chloro-4-[2-hydroxyethyl(methyl)amino]-2-(methylthio)quinolin-1-ium-3-carboxylic acid ethyl ester Formula: C16H20ClN2O3S+ MolecularWeight: 355.8596

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(C(=CC=C2)Cl)[NH+]=C1SC)N(C)CCO

Isomeric SMILES

CCOC(=O)C1=C(C2=C(C(=CC=C2)Cl)[NH+]=C1SC)N(C)CCO

InChI

InChI=1S/C16H19ClN2O3S/c1-4-22-16(21)12-14(19(2)8-9-20)10-6-5-7-11(17)13(10)18-15(12)23-3/h5-7,20H,4,8-9H2,1-3H3/p+1