ethyl 6-chloranyl-8-methyl-4-(4-methylpiperazin-4-ium-1-yl)quinolin-1-ium-3-carboxylate

Systemtic Name: ethyl 6-chloranyl-8-methyl-4-(4-methylpiperazin-4-ium-1-yl)quinolin-1-ium-3-carboxylate Openeye Name: ethyl 6-chloro-8-methyl-4-(4-methylpiperazin-4-ium-1-yl)quinolin-1-ium-3-carboxylate CAS Name: 6-chloro-8-methyl-4-(4-methyl-1-piperazin-4-iumyl)-3-quinolin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 6-chloro-8-methyl-4-(4-methylpiperazin-4-ium-1-yl)quinolin-1-ium-3-carboxylate Traditional Name: 6-chloro-8-methyl-4-(4-methylpiperazin-4-ium-1-yl)quinolin-1-ium-3-carboxylic acid ethyl ester Formula: C18H24ClN3O2+2 MolecularWeight: 349.85506

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22ClN3O2/c1-4-24-18(23)15-11-20-16-12(2)9-13(19)10-14(16)17(15)22-7-5-21(3)6-8-22/h9-11H,4-8H2,1-3H3/p+2