1-ethyl-6,8-bis(fluoranyl)-7-(3-methylpiperazin-1-yl)-4-oxidanylidene-quinoline-3-carboxylic acid dihydrochloride

Systemtic Name: 1-ethyl-6,8-bis(fluoranyl)-7-(3-methylpiperazin-1-yl)-4-oxidanylidene-quinoline-3-carboxylic acid dihydrochloride Openeye Name: 1-ethyl-6,8-difluoro-7-(3-methylpiperazin-1-yl)-4-oxo-quinoline-3-carboxylic acid dihydrochloride CAS Name: 1-ethyl-6,8-difluoro-7-(3-methyl-1-piperazinyl)-4-oxo-3-quinolinecarboxylic acid dihydrochloride IUPAC Name: 1-ethyl-6,8-difluoro-7-(3-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid dihydrochloride Traditional Name: 1-ethyl-6,8-difluoro-4-keto-7-(3-methylpiperazino)quinoline-3-carboxylic acid dihydrochloride Formula: C17H21Cl2F2N3O3 MolecularWeight: 424.269746

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=CC(=C(C(=C21)F)N3CCNC(C3)C)F)C(=O)O.Cl.Cl

Isomeric SMILES

CCN1C=C(C(=O)C2=CC(=C(C(=C21)F)N3CCNC(C3)C)F)C(=O)O.Cl.Cl

InChI

InChI=1S/C17H19F2N3O3.2ClH/c1-3-21-8-11(17(24)25)16(23)10-6-12(18)15(13(19)14(10)21)22-5-4-20-9(2)7-22;;/h6,8-9,20H,3-5,7H2,1-2H3,(H,24,25);2*1H