7-(7-azanyl-5-azaspiro[2.4]heptan-5-yl)-1-cyclopropyl-6-fluoranyl-8-methoxy-4-oxidanylidene-quinoline-3-carboxylic acid; methanesulfonic acid

Systemtic Name: 7-(7-azanyl-5-azaspiro[2.4]heptan-5-yl)-1-cyclopropyl-6-fluoranyl-8-methoxy-4-oxidanylidene-quinoline-3-carboxylic acid; methanesulfonic acid Openeye Name: 7-(7-amino-5-azaspiro[2.4]heptan-5-yl)-1-cyclopropyl-6-fluoro-8-methoxy-4-oxo-quinoline-3-carboxylic acid; methanesulfonic acid CAS Name: 7-(7-amino-5-azaspiro[2.4]heptan-5-yl)-1-cyclopropyl-6-fluoro-8-methoxy-4-oxo-3-quinolinecarboxylic acid; methanesulfonic acid IUPAC Name: 7-(7-amino-5-azaspiro[2.4]heptan-5-yl)-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid; methanesulfonic acid Traditional Name: 7-(7-amino-5-azaspiro[2.4]heptan-5-yl)-1-cyclopropyl-6-fluoro-4-keto-8-methoxy-quinoline-3-carboxylic acid; mesylic acid Formula: C21H26FN3O7S MolecularWeight: 483.510443

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=CC(=C1N3CC(C4(C3)CC4)N)F)C(=O)C(=CN2C5CC5)C(=O)O.CS(=O)(=O)O

Isomeric SMILES

COC1=C2C(=CC(=C1N3CC(C4(C3)CC4)N)F)C(=O)C(=CN2C5CC5)C(=O)O.CS(=O)(=O)O

InChI

InChI=1S/C20H22FN3O4.CH4O3S/c1-28-18-15-11(17(25)12(19(26)27)7-24(15)10-2-3-10)6-13(21)16(18)23-8-14(22)20(9-23)4-5-20;1-5(2,3)4/h6-7,10,14H,2-5,8-9,22H2,1H3,(H,26,27);1H3,(H,2,3,4)