ethyl 6-chloranyl-2-methylsulfanyl-4-morpholin-4-yl-quinolin-1-ium-3-carboxylate

Systemtic Name: ethyl 6-chloranyl-2-methylsulfanyl-4-morpholin-4-yl-quinolin-1-ium-3-carboxylate Openeye Name: ethyl 6-chloro-2-methylsulfanyl-4-morpholino-quinolin-1-ium-3-carboxylate CAS Name: 6-chloro-2-(methylthio)-4-(4-morpholinyl)-3-quinolin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 6-chloro-2-methylsulfanyl-4-morpholin-4-ylquinolin-1-ium-3-carboxylate Traditional Name: 6-chloro-2-(methylthio)-4-morpholino-quinolin-1-ium-3-carboxylic acid ethyl ester Formula: C17H20ClN2O3S+ MolecularWeight: 367.8703

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(C=CC(=C2)Cl)[NH+]=C1SC)N3CCOCC3

Isomeric SMILES

CCOC(=O)C1=C(C2=C(C=CC(=C2)Cl)[NH+]=C1SC)N3CCOCC3

InChI

InChI=1S/C17H19ClN2O3S/c1-3-23-17(21)14-15(20-6-8-22-9-7-20)12-10-11(18)4-5-13(12)19-16(14)24-2/h4-5,10H,3,6-9H2,1-2H3/p+1