[5-azanyl-1-cyclopropyl-7-[3-(ethylaminomethyl)pyrrolidin-1-yl]-6,8-bis(fluoranyl)-4-oxidanylidene-quinolin-3-yl] hydrogen carbonate hydrate hydrochloride

Systemtic Name: [5-azanyl-1-cyclopropyl-7-[3-(ethylaminomethyl)pyrrolidin-1-yl]-6,8-bis(fluoranyl)-4-oxidanylidene-quinolin-3-yl] hydrogen carbonate hydrate hydrochloride Openeye Name: [5-amino-1-cyclopropyl-7-[3-(ethylaminomethyl)pyrrolidin-1-yl]-6,8-difluoro-4-oxo-3-quinolyl] hydrogen carbonate hydrate hydrochloride CAS Name: carbonic acid [5-amino-1-cyclopropyl-7-[3-(ethylaminomethyl)-1-pyrrolidinyl]-6,8-difluoro-4-oxo-3-quinolinyl] ester hydrate hydrochloride IUPAC Name: [5-amino-1-cyclopropyl-7-[3-(ethylaminomethyl)pyrrolidin-1-yl]-6,8-difluoro-4-oxoquinolin-3-yl] hydrogen carbonate hydrate hydrochloride Traditional Name: carbonic acid [5-amino-1-cyclopropyl-7-[3-(ethylaminomethyl)pyrrolidino]-6,8-difluoro-4-keto-3-quinolyl] ester hydrate hydrochloride Formula: C20H27ClF2N4O5 MolecularWeight: 476.901986

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Descriptors Computed from Structure

Canonical SMILES:

CCNCC1CCN(C1)C2=C(C3=C(C(=C2F)N)C(=O)C(=CN3C4CC4)OC(=O)O)F.O.Cl

Isomeric SMILES

CCNCC1CCN(C1)C2=C(C3=C(C(=C2F)N)C(=O)C(=CN3C4CC4)OC(=O)O)F.O.Cl

InChI

InChI=1S/C20H24F2N4O4.ClH.H2O/c1-2-24-7-10-5-6-25(8-10)18-14(21)16(23)13-17(15(18)22)26(11-3-4-11)9-12(19(13)27)30-20(28)29;;/h9-11,24H,2-8,23H2,1H3,(H,28,29);1H;1H2