7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-6-fluoranyl-1-naphthalen-2-yl-4-oxidanylidene-quinoline-3-carboxylic acid; methanesulfonic acid

Systemtic Name: 7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-6-fluoranyl-1-naphthalen-2-yl-4-oxidanylidene-quinoline-3-carboxylic acid; methanesulfonic acid Openeye Name: 7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-6-fluoro-1-(2-naphthyl)-4-oxo-quinoline-3-carboxylic acid; methanesulfonic acid CAS Name: 7-[(3R,5S)-3,5-dimethyl-1-piperazinyl]-6-fluoro-1-(2-naphthalenyl)-4-oxo-3-quinolinecarboxylic acid; methanesulfonic acid IUPAC Name: 7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-6-fluoro-1-naphthalen-2-yl-4-oxoquinoline-3-carboxylic acid; methanesulfonic acid Traditional Name: 7-[(3R,5S)-3,5-dimethylpiperazino]-6-fluoro-4-keto-1-(2-naphthyl)quinoline-3-carboxylic acid; mesylic acid Formula: C27H28FN3O6S MolecularWeight: 541.591123

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(N1)C)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4=CC5=CC=CC=C5C=C4)F.CS(=O)(=O)O

Isomeric SMILES

C[C@@H]1CN(C[C@@H](N1)C)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4=CC5=CC=CC=C5C=C4)F.CS(=O)(=O)O

InChI

InChI=1S/C26H24FN3O3.CH4O3S/c1-15-12-29(13-16(2)28-15)24-11-23-20(10-22(24)27)25(31)21(26(32)33)14-30(23)19-8-7-17-5-3-4-6-18(17)9-19;1-5(2,3)4/h3-11,14-16,28H,12-13H2,1-2H3,(H,32,33);1H3,(H,2,3,4)/t15-,16+;