ethyl 6-chloranyl-4-(4-methylpiperazin-4-ium-1-yl)-2-methylsulfanyl-quinoline-3-carboxylate

Systemtic Name: ethyl 6-chloranyl-4-(4-methylpiperazin-4-ium-1-yl)-2-methylsulfanyl-quinoline-3-carboxylate Openeye Name: ethyl 6-chloro-4-(4-methylpiperazin-4-ium-1-yl)-2-methylsulfanyl-quinoline-3-carboxylate CAS Name: 6-chloro-4-(4-methyl-1-piperazin-4-iumyl)-2-(methylthio)-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-chloro-4-(4-methylpiperazin-4-ium-1-yl)-2-methylsulfanylquinoline-3-carboxylate Traditional Name: 6-chloro-4-(4-methylpiperazin-4-ium-1-yl)-2-(methylthio)quinoline-3-carboxylic acid ethyl ester Formula: C18H23ClN3O2S+ MolecularWeight: 380.91212

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(C=CC(=C2)Cl)N=C1SC)N3CC[NH+](CC3)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(C=CC(=C2)Cl)N=C1SC)N3CC[NH+](CC3)C

InChI

InChI=1S/C18H22ClN3O2S/c1-4-24-18(23)15-16(22-9-7-21(2)8-10-22)13-11-12(19)5-6-14(13)20-17(15)25-3/h5-6,11H,4,7-10H2,1-3H3/p+1