1-cyclopropyl-6-fluoranyl-7-[(1R,4R)-5-methyl-2-aza-5-azoniabicyclo[2.2.2]octan-2-yl]-4-oxidanylidene-quinoline-3-carboxylate

Systemtic Name: 1-cyclopropyl-6-fluoranyl-7-[(1R,4R)-5-methyl-2-aza-5-azoniabicyclo[2.2.2]octan-2-yl]-4-oxidanylidene-quinoline-3-carboxylate Openeye Name: 1-cyclopropyl-6-fluoro-7-[(1R,4R)-5-methyl-2-aza-5-azoniabicyclo[2.2.2]octan-2-yl]-4-oxo-quinoline-3-carboxylate CAS Name: 1-cyclopropyl-6-fluoro-7-[(1R,4R)-5-methyl-2-aza-5-azoniabicyclo[2.2.2]octan-2-yl]-4-oxo-3-quinolinecarboxylate IUPAC Name: 1-cyclopropyl-6-fluoro-7-[(1R,4R)-5-methyl-2-aza-5-azoniabicyclo[2.2.2]octan-2-yl]-4-oxoquinoline-3-carboxylate Traditional Name: 1-cyclopropyl-6-fluoro-4-keto-7-[(1R,4R)-5-methyl-2-aza-5-azoniabicyclo[2.2.2]octan-2-yl]quinoline-3-carboxylate Formula: C20H22FN3O3 MolecularWeight: 371.405383

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CC2CCC1CN2C3=C(C=C4C(=C3)N(C=C(C4=O)C(=O)[O-])C5CC5)F

Isomeric SMILES

C[NH+]1C[C@H]2CC[C@@H]1CN2C3=C(C=C4C(=C3)N(C=C(C4=O)C(=O)[O-])C5CC5)F

InChI

InChI=1S/C20H22FN3O3/c1-22-8-13-5-4-12(22)9-23(13)18-7-17-14(6-16(18)21)19(25)15(20(26)27)10-24(17)11-2-3-11/h6-7,10-13H,2-5,8-9H2,1H3,(H,26,27)/t12-,13-/m1/s1