[7-(4-azanyl-1,3,3a,4,7,7a-hexahydroisoindol-2-yl)-8-chloranyl-1-cyclopropyl-6-fluoranyl-4-oxidanylidene-quinolin-3-yl] hydrogen carbonate hydrochloride

Systemtic Name: [7-(4-azanyl-1,3,3a,4,7,7a-hexahydroisoindol-2-yl)-8-chloranyl-1-cyclopropyl-6-fluoranyl-4-oxidanylidene-quinolin-3-yl] hydrogen carbonate hydrochloride Openeye Name: [7-(4-amino-1,3,3a,4,7,7a-hexahydroisoindol-2-yl)-8-chloro-1-cyclopropyl-6-fluoro-4-oxo-3-quinolyl] hydrogen carbonate hydrochloride CAS Name: carbonic acid [7-(4-amino-1,3,3a,4,7,7a-hexahydroisoindol-2-yl)-8-chloro-1-cyclopropyl-6-fluoro-4-oxo-3-quinolinyl] ester hydrochloride IUPAC Name: [7-(4-amino-1,3,3a,4,7,7a-hexahydroisoindol-2-yl)-8-chloro-1-cyclopropyl-6-fluoro-4-oxoquinolin-3-yl] hydrogen carbonate hydrochloride Traditional Name: carbonic acid [7-(4-amino-1,3,3a,4,7,7a-hexahydroisoindol-2-yl)-8-chloro-1-cyclopropyl-6-fluoro-4-keto-3-quinolyl] ester hydrochloride Formula: C21H22Cl2FN3O4 MolecularWeight: 470.321483

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C=C(C(=O)C3=CC(=C(C(=C32)Cl)N4CC5CC=CC(C5C4)N)F)OC(=O)O.Cl

Isomeric SMILES

C1CC1N2C=C(C(=O)C3=CC(=C(C(=C32)Cl)N4CC5CC=CC(C5C4)N)F)OC(=O)O.Cl

InChI

InChI=1S/C21H21ClFN3O4.ClH/c22-17-18-12(20(27)16(30-21(28)29)9-26(18)11-4-5-11)6-14(23)19(17)25-7-10-2-1-3-15(24)13(10)8-25;/h1,3,6,9-11,13,15H,2,4-5,7-8,24H2,(H,28,29);1H