6-fluoranyl-1-(4-hydroxyphenyl)-1-(4-methylpiperazin-1-yl)-4-oxidanylidene-quinolin-1-ium-3-carboxylic acid

Systemtic Name: 6-fluoranyl-1-(4-hydroxyphenyl)-1-(4-methylpiperazin-1-yl)-4-oxidanylidene-quinolin-1-ium-3-carboxylic acid Openeye Name: 6-fluoro-1-(4-hydroxyphenyl)-1-(4-methylpiperazin-1-yl)-4-oxo-quinolin-1-ium-3-carboxylic acid CAS Name: 6-fluoro-1-(4-hydroxyphenyl)-1-(4-methyl-1-piperazinyl)-4-oxo-3-quinolin-1-iumcarboxylic acid IUPAC Name: 6-fluoro-1-(4-hydroxyphenyl)-1-(4-methylpiperazin-1-yl)-4-oxoquinolin-1-ium-3-carboxylic acid Traditional Name: 6-fluoro-1-(4-hydroxyphenyl)-4-keto-1-(4-methylpiperazino)quinolin-1-ium-3-carboxylic acid Formula: C21H21FN3O4+ MolecularWeight: 398.407543

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)[N+]2(C=C(C(=O)C3=C2C=CC(=C3)F)C(=O)O)C4=CC=C(C=C4)O

Isomeric SMILES

CN1CCN(CC1)[N+]2(C=C(C(=O)C3=C2C=CC(=C3)F)C(=O)O)C4=CC=C(C=C4)O

InChI

InChI=1S/C21H20FN3O4/c1-23-8-10-24(11-9-23)25(15-3-5-16(26)6-4-15)13-18(21(28)29)20(27)17-12-14(22)2-7-19(17)25/h2-7,12-13H,8-11H2,1H3,(H-,26,28,29)/p+1