6-fluoranyl-1-methyl-7-[4-(phenylmethyl)piperazin-4-ium-1-yl]-3-(phenylsulfonyl)quinolin-4-one

Systemtic Name: 6-fluoranyl-1-methyl-7-[4-(phenylmethyl)piperazin-4-ium-1-yl]-3-(phenylsulfonyl)quinolin-4-one Openeye Name: 3-(benzenesulfonyl)-7-(4-benzylpiperazin-4-ium-1-yl)-6-fluoro-1-methyl-quinolin-4-one CAS Name: 3-(benzenesulfonyl)-6-fluoro-1-methyl-7-[4-(phenylmethyl)-1-piperazin-4-iumyl]-4-quinolinone IUPAC Name: 3-(benzenesulfonyl)-7-(4-benzylpiperazin-4-ium-1-yl)-6-fluoro-1-methylquinolin-4-one Traditional Name: 7-(4-benzylpiperazin-4-ium-1-yl)-3-besyl-6-fluoro-1-methyl-4-quinolone Formula: C27H27FN3O3S+ MolecularWeight: 492.584983

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=O)C2=CC(=C(C=C21)N3CC[NH+](CC3)CC4=CC=CC=C4)F)S(=O)(=O)C5=CC=CC=C5

Isomeric SMILES

CN1C=C(C(=O)C2=CC(=C(C=C21)N3CC[NH+](CC3)CC4=CC=CC=C4)F)S(=O)(=O)C5=CC=CC=C5

InChI

InChI=1S/C27H26FN3O3S/c1-29-19-26(35(33,34)21-10-6-3-7-11-21)27(32)22-16-23(28)25(17-24(22)29)31-14-12-30(13-15-31)18-20-8-4-2-5-9-20/h2-11,16-17,19H,12-15,18H2,1H3/p+1