7-[(3S)-3-azanylpyrrolidin-1-yl]-6-fluoranyl-1-naphthalen-2-yl-4-oxidanylidene-quinoline-3-carboxylic acid; methanesulfonic acid

Systemtic Name: 7-[(3S)-3-azanylpyrrolidin-1-yl]-6-fluoranyl-1-naphthalen-2-yl-4-oxidanylidene-quinoline-3-carboxylic acid; methanesulfonic acid Openeye Name: 7-[(3S)-3-aminopyrrolidin-1-yl]-6-fluoro-1-(2-naphthyl)-4-oxo-quinoline-3-carboxylic acid; methanesulfonic acid CAS Name: 7-[(3S)-3-amino-1-pyrrolidinyl]-6-fluoro-1-(2-naphthalenyl)-4-oxo-3-quinolinecarboxylic acid; methanesulfonic acid IUPAC Name: 7-[(3S)-3-aminopyrrolidin-1-yl]-6-fluoro-1-naphthalen-2-yl-4-oxoquinoline-3-carboxylic acid; methanesulfonic acid Traditional Name: 7-[(3S)-3-aminopyrrolidino]-6-fluoro-4-keto-1-(2-naphthyl)quinoline-3-carboxylic acid; mesylic acid Formula: C25H24FN3O6S MolecularWeight: 513.537963

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)O.C1CN(CC1N)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4=CC5=CC=CC=C5C=C4)F

Isomeric SMILES

CS(=O)(=O)O.C1CN(C[C@H]1N)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4=CC5=CC=CC=C5C=C4)F

InChI

InChI=1S/C24H20FN3O3.CH4O3S/c25-20-10-18-21(11-22(20)27-8-7-16(26)12-27)28(13-19(23(18)29)24(30)31)17-6-5-14-3-1-2-4-15(14)9-17;1-5(2,3)4/h1-6,9-11,13,16H,7-8,12,26H2,(H,30,31);1H3,(H,2,3,4)/t16-;/m0./s1