7-[2-(aminomethyl)-3-azoniaspiro[2.4]heptan-6-yl]-1-[2,4-bis(fluoranyl)phenyl]-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 7-[2-(aminomethyl)-3-azoniaspiro[2.4]heptan-6-yl]-1-[2,4-bis(fluoranyl)phenyl]-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-[2-(aminomethyl)-3-azoniaspiro[2.4]heptan-6-yl]-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-[2-(aminomethyl)-3-azoniaspiro[2.4]heptan-6-yl]-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-[2-(aminomethyl)-3-azoniaspiro[2.4]heptan-6-yl]-1-(2,4-difluorophenyl)-6-fluoro-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-[2-(aminomethyl)-3-azoniaspiro[2.4]heptan-6-yl]-1-(2,4-difluorophenyl)-6-fluoro-4-keto-quinoline-3-carboxylic acid Formula: C23H21F3N3O3+ MolecularWeight: 444.42635

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+]2(CC1C3=C(C=C4C(=C3)N(C=C(C4=O)C(=O)O)C5=C(C=C(C=C5)F)F)F)CC2CN

Isomeric SMILES

C1C[N+]2(CC1C3=C(C=C4C(=C3)N(C=C(C4=O)C(=O)O)C5=C(C=C(C=C5)F)F)F)CC2CN

InChI

InChI=1S/C23H20F3N3O3/c24-13-1-2-20(19(26)5-13)28-9-17(23(31)32)22(30)16-6-18(25)15(7-21(16)28)12-3-4-29(10-12)11-14(29)8-27/h1-2,5-7,9,12,14H,3-4,8,10-11,27H2/p+1