6-fluoranyl-7-(3-methylpiperazin-1-yl)-1-naphthalen-1-yl-4-oxidanylidene-quinoline-3-carboxylic acid; methanesulfonic acid

Systemtic Name: 6-fluoranyl-7-(3-methylpiperazin-1-yl)-1-naphthalen-1-yl-4-oxidanylidene-quinoline-3-carboxylic acid; methanesulfonic acid Openeye Name: 6-fluoro-7-(3-methylpiperazin-1-yl)-1-(1-naphthyl)-4-oxo-quinoline-3-carboxylic acid; methanesulfonic acid CAS Name: 6-fluoro-7-(3-methyl-1-piperazinyl)-1-(1-naphthalenyl)-4-oxo-3-quinolinecarboxylic acid; methanesulfonic acid IUPAC Name: 6-fluoro-7-(3-methylpiperazin-1-yl)-1-naphthalen-1-yl-4-oxoquinoline-3-carboxylic acid; methanesulfonic acid Traditional Name: 6-fluoro-4-keto-7-(3-methylpiperazino)-1-(1-naphthyl)quinoline-3-carboxylic acid; mesylic acid Formula: C26H26FN3O6S MolecularWeight: 527.564543

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4=CC=CC5=CC=CC=C54)F.CS(=O)(=O)O

Isomeric SMILES

CC1CN(CCN1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4=CC=CC5=CC=CC=C54)F.CS(=O)(=O)O

InChI

InChI=1S/C25H22FN3O3.CH4O3S/c1-15-13-28(10-9-27-15)23-12-22-18(11-20(23)26)24(30)19(25(31)32)14-29(22)21-8-4-6-16-5-2-3-7-17(16)21;1-5(2,3)4/h2-8,11-12,14-15,27H,9-10,13H2,1H3,(H,31,32);1H3,(H,2,3,4)