7-(4-azanyl-3,3-dimethyl-piperidin-1-yl)-1-cyclopropyl-6-fluoranyl-8-methoxy-4-oxidanylidene-quinoline-3-carboxylic acid; methanesulfonic acid

Systemtic Name: 7-(4-azanyl-3,3-dimethyl-piperidin-1-yl)-1-cyclopropyl-6-fluoranyl-8-methoxy-4-oxidanylidene-quinoline-3-carboxylic acid; methanesulfonic acid Openeye Name: 7-(4-amino-3,3-dimethyl-1-piperidyl)-1-cyclopropyl-6-fluoro-8-methoxy-4-oxo-quinoline-3-carboxylic acid; methanesulfonic acid CAS Name: 7-(4-amino-3,3-dimethyl-1-piperidinyl)-1-cyclopropyl-6-fluoro-8-methoxy-4-oxo-3-quinolinecarboxylic acid; methanesulfonic acid IUPAC Name: 7-(4-amino-3,3-dimethylpiperidin-1-yl)-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid; methanesulfonic acid Traditional Name: 7-(4-amino-3,3-dimethyl-piperidino)-1-cyclopropyl-6-fluoro-4-keto-8-methoxy-quinoline-3-carboxylic acid; mesylic acid Formula: C22H30FN3O7S MolecularWeight: 499.552903

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CN(CCC1N)C2=C(C=C3C(=C2OC)N(C=C(C3=O)C(=O)O)C4CC4)F)C.CS(=O)(=O)O

Isomeric SMILES

CC1(CN(CCC1N)C2=C(C=C3C(=C2OC)N(C=C(C3=O)C(=O)O)C4CC4)F)C.CS(=O)(=O)O

InChI

InChI=1S/C21H26FN3O4.CH4O3S/c1-21(2)10-24(7-6-15(21)23)17-14(22)8-12-16(19(17)29-3)25(11-4-5-11)9-13(18(12)26)20(27)28;1-5(2,3)4/h8-9,11,15H,4-7,10,23H2,1-3H3,(H,27,28);1H3,(H,2,3,4)