7-[(3S)-3-azanylpyrrolidin-1-yl]-6-fluoranyl-1-naphthalen-1-yl-4-oxidanylidene-1,8-naphthyridine-3-carboxylic acid; methanesulfonic acid

Systemtic Name: 7-[(3S)-3-azanylpyrrolidin-1-yl]-6-fluoranyl-1-naphthalen-1-yl-4-oxidanylidene-1,8-naphthyridine-3-carboxylic acid; methanesulfonic acid Openeye Name: 7-[(3S)-3-aminopyrrolidin-1-yl]-6-fluoro-1-(1-naphthyl)-4-oxo-1,8-naphthyridine-3-carboxylic acid; methanesulfonic acid CAS Name: 7-[(3S)-3-amino-1-pyrrolidinyl]-6-fluoro-1-(1-naphthalenyl)-4-oxo-1,8-naphthyridine-3-carboxylic acid; methanesulfonic acid IUPAC Name: 7-[(3S)-3-aminopyrrolidin-1-yl]-6-fluoro-1-naphthalen-1-yl-4-oxo-1,8-naphthyridine-3-carboxylic acid; methanesulfonic acid Traditional Name: 7-[(3S)-3-aminopyrrolidino]-6-fluoro-4-keto-1-(1-naphthyl)-1,8-naphthyridine-3-carboxylic acid; mesylic acid Formula: C24H23FN4O6S MolecularWeight: 514.526023

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)O.C1CN(CC1N)C2=C(C=C3C(=O)C(=CN(C3=N2)C4=CC=CC5=CC=CC=C54)C(=O)O)F

Isomeric SMILES

CS(=O)(=O)O.C1CN(C[C@H]1N)C2=C(C=C3C(=O)C(=CN(C3=N2)C4=CC=CC5=CC=CC=C54)C(=O)O)F

InChI

InChI=1S/C23H19FN4O3.CH4O3S/c24-18-10-16-20(29)17(23(30)31)12-28(19-7-3-5-13-4-1-2-6-15(13)19)21(16)26-22(18)27-9-8-14(25)11-27;1-5(2,3)4/h1-7,10,12,14H,8-9,11,25H2,(H,30,31);1H3,(H,2,3,4)/t14-;/m0./s1