ethyl 8-chloranyl-2-methylsulfanyl-4-piperidin-1-yl-quinolin-1-ium-3-carboxylate

Systemtic Name: ethyl 8-chloranyl-2-methylsulfanyl-4-piperidin-1-yl-quinolin-1-ium-3-carboxylate Openeye Name: ethyl 8-chloro-2-methylsulfanyl-4-(1-piperidyl)quinolin-1-ium-3-carboxylate CAS Name: 8-chloro-2-(methylthio)-4-(1-piperidinyl)-3-quinolin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 8-chloro-2-methylsulfanyl-4-piperidin-1-ylquinolin-1-ium-3-carboxylate Traditional Name: 8-chloro-2-(methylthio)-4-piperidino-quinolin-1-ium-3-carboxylic acid ethyl ester Formula: C18H22ClN2O2S+ MolecularWeight: 365.89748

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(C(=CC=C2)Cl)[NH+]=C1SC)N3CCCCC3

Isomeric SMILES

CCOC(=O)C1=C(C2=C(C(=CC=C2)Cl)[NH+]=C1SC)N3CCCCC3

InChI

InChI=1S/C18H21ClN2O2S/c1-3-23-18(22)14-16(21-10-5-4-6-11-21)12-8-7-9-13(19)15(12)20-17(14)24-2/h7-9H,3-6,10-11H2,1-2H3/p+1