7-[(2R,3S)-3-azanyl-2-methyl-azetidin-1-yl]-1-cyclopropyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid; 4-methylbenzenesulfonic acid

Systemtic Name: 7-[(2R,3S)-3-azanyl-2-methyl-azetidin-1-yl]-1-cyclopropyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid; 4-methylbenzenesulfonic acid Openeye Name: 7-[(2R,3S)-3-amino-2-methyl-azetidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxo-quinoline-3-carboxylic acid; 4-methylbenzenesulfonic acid CAS Name: 7-[(2R,3S)-3-amino-2-methyl-1-azetidinyl]-1-cyclopropyl-6-fluoro-4-oxo-3-quinolinecarboxylic acid; 4-methylbenzenesulfonic acid IUPAC Name: 7-[(2R,3S)-3-amino-2-methylazetidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid; 4-methylbenzenesulfonic acid Traditional Name: 7-[(2R,3S)-3-amino-2-methyl-azetidin-1-yl]-1-cyclopropyl-6-fluoro-4-keto-quinoline-3-carboxylic acid; tosylic acid Formula: C24H26FN3O6S MolecularWeight: 503.543143

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(CN1C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4CC4)F)N.CC1=CC=C(C=C1)S(=O)(=O)O

Isomeric SMILES

C[C@@H]1[C@H](CN1C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4CC4)F)N.CC1=CC=C(C=C1)S(=O)(=O)O

InChI

InChI=1S/C17H18FN3O3.C7H8O3S/c1-8-13(19)7-20(8)15-5-14-10(4-12(15)18)16(22)11(17(23)24)6-21(14)9-2-3-9;1-6-2-4-7(5-3-6)11(8,9)10/h4-6,8-9,13H,2-3,7,19H2,1H3,(H,23,24);2-5H,1H3,(H,8,9,10)/t8-,13+;/m1./s1