[4-methyl-1-[2-(2-oxidanyl-5-oxidanylidene-2H-furan-3-yl)ethylsulfonyl]piperazin-1-ium-1-yl] dodecanoate

Systemtic Name: [4-methyl-1-[2-(2-oxidanyl-5-oxidanylidene-2H-furan-3-yl)ethylsulfonyl]piperazin-1-ium-1-yl] dodecanoate Openeye Name: [1-[2-(2-hydroxy-5-oxo-2H-furan-3-yl)ethylsulfonyl]-4-methyl-piperazin-1-ium-1-yl] dodecanoate CAS Name: dodecanoic acid [1-[2-(2-hydroxy-5-oxo-2H-furan-3-yl)ethylsulfonyl]-4-methyl-1-piperazin-1-iumyl] ester IUPAC Name: [1-[2-(2-hydroxy-5-oxo-2H-furan-3-yl)ethylsulfonyl]-4-methylpiperazin-1-ium-1-yl] dodecanoate Traditional Name: lauric acid [1-[2-(2-hydroxy-5-keto-2H-furan-3-yl)ethylsulfonyl]-4-methyl-piperazin-1-ium-1-yl] ester Formula: C23H41N2O7S+ MolecularWeight: 489.64584

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)O[N+]1(CCN(CC1)C)S(=O)(=O)CCC2=CC(=O)OC2O

Isomeric SMILES

CCCCCCCCCCCC(=O)O[N+]1(CCN(CC1)C)S(=O)(=O)CCC2=CC(=O)OC2O

InChI

InChI=1S/C23H41N2O7S/c1-3-4-5-6-7-8-9-10-11-12-21(26)32-25(16-14-24(2)15-17-25)33(29,30)18-13-20-19-22(27)31-23(20)28/h19,23,28H,3-18H2,1-2H3/q+1