5-azanyl-1-cyclopropyl-7-[(3S,5R)-3,5-dimethylpiperazin-4-ium-1-yl]-6,8-bis(fluoranyl)-4-oxidanylidene-quinoline-3-carboxylate

Systemtic Name: 5-azanyl-1-cyclopropyl-7-[(3S,5R)-3,5-dimethylpiperazin-4-ium-1-yl]-6,8-bis(fluoranyl)-4-oxidanylidene-quinoline-3-carboxylate Openeye Name: 5-amino-1-cyclopropyl-7-[(3S,5R)-3,5-dimethylpiperazin-4-ium-1-yl]-6,8-difluoro-4-oxo-quinoline-3-carboxylate CAS Name: 5-amino-1-cyclopropyl-7-[(3S,5R)-3,5-dimethyl-1-piperazin-4-iumyl]-6,8-difluoro-4-oxo-3-quinolinecarboxylate IUPAC Name: 5-amino-1-cyclopropyl-7-[(3S,5R)-3,5-dimethylpiperazin-4-ium-1-yl]-6,8-difluoro-4-oxoquinoline-3-carboxylate Traditional Name: 5-amino-1-cyclopropyl-7-[(3S,5R)-3,5-dimethylpiperazin-4-ium-1-yl]-6,8-difluoro-4-keto-quinoline-3-carboxylate Formula: C19H22F2N4O3 MolecularWeight: 392.399786

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC([NH2+]1)C)C2=C(C3=C(C(=C2F)N)C(=O)C(=CN3C4CC4)C(=O)[O-])F

Isomeric SMILES

C[C@@H]1CN(C[C@@H]([NH2+]1)C)C2=C(C3=C(C(=C2F)N)C(=O)C(=CN3C4CC4)C(=O)[O-])F

InChI

InChI=1S/C19H22F2N4O3/c1-8-5-24(6-9(2)23-8)17-13(20)15(22)12-16(14(17)21)25(10-3-4-10)7-11(18(12)26)19(27)28/h7-10,23H,3-6,22H2,1-2H3,(H,27,28)/t8-,9+