7-[(3S)-3-azanylpyrrolidin-1-yl]-1-tert-butyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid; methanesulfonic acid

Systemtic Name: 7-[(3S)-3-azanylpyrrolidin-1-yl]-1-tert-butyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid; methanesulfonic acid Openeye Name: 7-[(3S)-3-aminopyrrolidin-1-yl]-1-tert-butyl-6-fluoro-4-oxo-quinoline-3-carboxylic acid; methanesulfonic acid CAS Name: 7-[(3S)-3-amino-1-pyrrolidinyl]-1-tert-butyl-6-fluoro-4-oxo-3-quinolinecarboxylic acid; methanesulfonic acid IUPAC Name: 7-[(3S)-3-aminopyrrolidin-1-yl]-1-tert-butyl-6-fluoro-4-oxoquinoline-3-carboxylic acid; methanesulfonic acid Traditional Name: 7-[(3S)-3-aminopyrrolidino]-1-tert-butyl-6-fluoro-4-keto-quinoline-3-carboxylic acid; mesylic acid Formula: C19H26FN3O6S MolecularWeight: 443.489643

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C=C(C(=O)C2=CC(=C(C=C21)N3CCC(C3)N)F)C(=O)O.CS(=O)(=O)O

Isomeric SMILES

CC(C)(C)N1C=C(C(=O)C2=CC(=C(C=C21)N3CC[C@@H](C3)N)F)C(=O)O.CS(=O)(=O)O

InChI

InChI=1S/C18H22FN3O3.CH4O3S/c1-18(2,3)22-9-12(17(24)25)16(23)11-6-13(19)15(7-14(11)22)21-5-4-10(20)8-21;1-5(2,3)4/h6-7,9-10H,4-5,8,20H2,1-3H3,(H,24,25);1H3,(H,2,3,4)/t10-;/m0./s1