ethyl 1-[(2-chloranyl-7-methylsulfanyl-quinolin-3-yl)methyl]piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-[(2-chloranyl-7-methylsulfanyl-quinolin-3-yl)methyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[(2-chloro-7-methylsulfanyl-3-quinolyl)methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[[2-chloro-7-(methylthio)-3-quinolinyl]methyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(2-chloro-7-methylsulfanylquinolin-3-yl)methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[[2-chloro-7-(methylthio)-3-quinolyl]methyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C19H24ClN2O2S+ MolecularWeight: 379.92406

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC[NH+](CC1)CC2=C(N=C3C=C(C=CC3=C2)SC)Cl

Isomeric SMILES

CCOC(=O)C1CC[NH+](CC1)CC2=C(N=C3C=C(C=CC3=C2)SC)Cl

InChI

InChI=1S/C19H23ClN2O2S/c1-3-24-19(23)13-6-8-22(9-7-13)12-15-10-14-4-5-16(25-2)11-17(14)21-18(15)20/h4-5,10-11,13H,3,6-9,12H2,1-2H3/p+1