ethyl 6-fluoranyl-1-(methylamino)-7-(4-methylpiperazin-1-yl)-4-oxidanylidene-quinoline-3-carboxylate; methanesulfonic acid

Systemtic Name: ethyl 6-fluoranyl-1-(methylamino)-7-(4-methylpiperazin-1-yl)-4-oxidanylidene-quinoline-3-carboxylate; methanesulfonic acid Openeye Name: ethyl 6-fluoro-1-(methylamino)-7-(4-methylpiperazin-1-yl)-4-oxo-quinoline-3-carboxylate; methanesulfonic acid CAS Name: 6-fluoro-1-(methylamino)-7-(4-methyl-1-piperazinyl)-4-oxo-3-quinolinecarboxylic acid ethyl ester; methanesulfonic acid IUPAC Name: ethyl 6-fluoro-1-(methylamino)-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylate; methanesulfonic acid Traditional Name: 6-fluoro-4-keto-1-(methylamino)-7-(4-methylpiperazino)quinoline-3-carboxylic acid ethyl ester; mesylic acid Formula: C19H27FN4O6S MolecularWeight: 458.504283

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN(C2=CC(=C(C=C2C1=O)F)N3CCN(CC3)C)NC.CS(=O)(=O)O

Isomeric SMILES

CCOC(=O)C1=CN(C2=CC(=C(C=C2C1=O)F)N3CCN(CC3)C)NC.CS(=O)(=O)O

InChI

InChI=1S/C18H23FN4O3.CH4O3S/c1-4-26-18(25)13-11-23(20-2)15-10-16(14(19)9-12(15)17(13)24)22-7-5-21(3)6-8-22;1-5(2,3)4/h9-11,20H,4-8H2,1-3H3;1H3,(H,2,3,4)