1-[(3-fluorophenyl)methyl]-6-methyl-3-[[4-(4-oxidanylpiperidin-1-ium-1-yl)piperidin-1-ium-1-yl]methyl]quinolin-2-one

Systemtic Name: 1-[(3-fluorophenyl)methyl]-6-methyl-3-[[4-(4-oxidanylpiperidin-1-ium-1-yl)piperidin-1-ium-1-yl]methyl]quinolin-2-one Openeye Name: 1-[(3-fluorophenyl)methyl]-3-[[4-(4-hydroxypiperidin-1-ium-1-yl)piperidin-1-ium-1-yl]methyl]-6-methyl-quinolin-2-one CAS Name: 1-[(3-fluorophenyl)methyl]-3-[[4-(4-hydroxy-1-piperidin-1-iumyl)-1-piperidin-1-iumyl]methyl]-6-methyl-2-quinolinone IUPAC Name: 1-[(3-fluorophenyl)methyl]-3-[[4-(4-hydroxypiperidin-1-ium-1-yl)piperidin-1-ium-1-yl]methyl]-6-methylquinolin-2-one Traditional Name: 1-(3-fluorobenzyl)-3-[[4-(4-hydroxypiperidin-1-ium-1-yl)piperidin-1-ium-1-yl]methyl]-6-methyl-carbostyril Formula: C28H36FN3O2+2 MolecularWeight: 465.602743

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(C(=O)C(=C2)C[NH+]3CCC(CC3)[NH+]4CCC(CC4)O)CC5=CC(=CC=C5)F

Isomeric SMILES

CC1=CC2=C(C=C1)N(C(=O)C(=C2)C[NH+]3CCC(CC3)[NH+]4CCC(CC4)O)CC5=CC(=CC=C5)F

InChI

InChI=1S/C28H34FN3O2/c1-20-5-6-27-22(15-20)17-23(28(34)32(27)18-21-3-2-4-24(29)16-21)19-30-11-7-25(8-12-30)31-13-9-26(33)10-14-31/h2-6,15-17,25-26,33H,7-14,18-19H2,1H3/p+2