7-[(3R,4S)-3-azanyl-4-methyl-pyrrolidin-1-yl]-1-tert-butyl-6-fluoranyl-4-oxidanylidene-1,8-naphthyridine-3-carboxylic acid; methanesulfonic acid

Systemtic Name: 7-[(3R,4S)-3-azanyl-4-methyl-pyrrolidin-1-yl]-1-tert-butyl-6-fluoranyl-4-oxidanylidene-1,8-naphthyridine-3-carboxylic acid; methanesulfonic acid Openeye Name: 7-[(3R,4S)-3-amino-4-methyl-pyrrolidin-1-yl]-1-tert-butyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid; methanesulfonic acid CAS Name: 7-[(3R,4S)-3-amino-4-methyl-1-pyrrolidinyl]-1-tert-butyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid; methanesulfonic acid IUPAC Name: 7-[(3R,4S)-3-amino-4-methylpyrrolidin-1-yl]-1-tert-butyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid; methanesulfonic acid Traditional Name: 7-[(3R,4S)-3-amino-4-methyl-pyrrolidino]-1-tert-butyl-6-fluoro-4-keto-1,8-naphthyridine-3-carboxylic acid; mesylic acid Formula: C19H27FN4O6S MolecularWeight: 458.504283

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC1N)C2=C(C=C3C(=O)C(=CN(C3=N2)C(C)(C)C)C(=O)O)F.CS(=O)(=O)O

Isomeric SMILES

C[C@H]1CN(C[C@@H]1N)C2=C(C=C3C(=O)C(=CN(C3=N2)C(C)(C)C)C(=O)O)F.CS(=O)(=O)O

InChI

InChI=1S/C18H23FN4O3.CH4O3S/c1-9-6-22(8-13(9)20)16-12(19)5-10-14(24)11(17(25)26)7-23(15(10)21-16)18(2,3)4;1-5(2,3)4/h5,7,9,13H,6,8,20H2,1-4H3,(H,25,26);1H3,(H,2,3,4)/t9-,13-;/m0./s1