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

Systemtic Name: 7-[(3S)-3-azanylpyrrolidin-1-yl]-6-fluoranyl-1-naphthalen-1-yl-4-oxidanylidene-quinoline-3-carboxylic acid; methanesulfonic acid Openeye Name: 7-[(3S)-3-aminopyrrolidin-1-yl]-6-fluoro-1-(1-naphthyl)-4-oxo-quinoline-3-carboxylic acid; methanesulfonic acid CAS Name: 7-[(3S)-3-amino-1-pyrrolidinyl]-6-fluoro-1-(1-naphthalenyl)-4-oxo-3-quinolinecarboxylic acid; methanesulfonic acid IUPAC Name: 7-[(3S)-3-aminopyrrolidin-1-yl]-6-fluoro-1-naphthalen-1-yl-4-oxoquinoline-3-carboxylic acid; methanesulfonic acid Traditional Name: 7-[(3S)-3-aminopyrrolidino]-6-fluoro-4-keto-1-(1-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=CC=CC5=CC=CC=C54)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=CC=CC5=CC=CC=C54)F

InChI

InChI=1S/C24H20FN3O3.CH4O3S/c25-19-10-17-21(11-22(19)27-9-8-15(26)12-27)28(13-18(23(17)29)24(30)31)20-7-3-5-14-4-1-2-6-16(14)20;1-5(2,3)4/h1-7,10-11,13,15H,8-9,12,26H2,(H,30,31);1H3,(H,2,3,4)/t15-;/m0./s1