1-ethyl-3-[(S)-(4-fluorophenyl)-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-6-methyl-2-oxidanyl-pyridin-4-one

Systemtic Name: 1-ethyl-3-[(S)-(4-fluorophenyl)-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-6-methyl-2-oxidanyl-pyridin-4-one Openeye Name: 1-ethyl-3-[(S)-(4-fluorophenyl)-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-2-hydroxy-6-methyl-pyridin-4-one CAS Name: 1-ethyl-3-[(S)-(4-fluorophenyl)-[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]methyl]-2-hydroxy-6-methyl-4-pyridinone IUPAC Name: 1-ethyl-3-[(S)-(4-fluorophenyl)-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-2-hydroxy-6-methylpyridin-4-one Traditional Name: 1-ethyl-3-[(S)-(4-fluorophenyl)-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-2-hydroxy-6-methyl-4-pyridone Formula: C24H29FN4O2+2 MolecularWeight: 424.511063

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CC(=O)C(=C1O)C(C2=CC=C(C=C2)F)[NH+]3CCN(CC3)C4=CC=CC=[NH+]4)C

Isomeric SMILES

CCN1C(=CC(=O)C(=C1O)[C@H](C2=CC=C(C=C2)F)[NH+]3CCN(CC3)C4=CC=CC=[NH+]4)C

InChI

InChI=1S/C24H27FN4O2/c1-3-29-17(2)16-20(30)22(24(29)31)23(18-7-9-19(25)10-8-18)28-14-12-27(13-15-28)21-6-4-5-11-26-21/h4-11,16,23,31H,3,12-15H2,1-2H3/p+2/t23-/m0/s1