ethyl 6,7-bis(fluoranyl)-4-(4-methylpiperazin-4-ium-1-yl)quinoline-3-carboxylate

Systemtic Name: ethyl 6,7-bis(fluoranyl)-4-(4-methylpiperazin-4-ium-1-yl)quinoline-3-carboxylate Openeye Name: ethyl 6,7-difluoro-4-(4-methylpiperazin-4-ium-1-yl)quinoline-3-carboxylate CAS Name: 6,7-difluoro-4-(4-methyl-1-piperazin-4-iumyl)-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 6,7-difluoro-4-(4-methylpiperazin-4-ium-1-yl)quinoline-3-carboxylate Traditional Name: 6,7-difluoro-4-(4-methylpiperazin-4-ium-1-yl)quinoline-3-carboxylic acid ethyl ester Formula: C17H20F2N3O2+ MolecularWeight: 336.356406

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC(=C(C=C2N=C1)F)F)N3CC[NH+](CC3)C

Isomeric SMILES

CCOC(=O)C1=C(C2=CC(=C(C=C2N=C1)F)F)N3CC[NH+](CC3)C

InChI

InChI=1S/C17H19F2N3O2/c1-3-24-17(23)12-10-20-15-9-14(19)13(18)8-11(15)16(12)22-6-4-21(2)5-7-22/h8-10H,3-7H2,1-2H3/p+1