3-ethyl-4-[(1-methyl-3-octadecyl-imidazol-1-ium-4-yl)methyl]oxolan-2-one

Systemtic Name: 3-ethyl-4-[(1-methyl-3-octadecyl-imidazol-1-ium-4-yl)methyl]oxolan-2-one Openeye Name: 3-ethyl-4-[(1-methyl-3-octadecyl-imidazol-1-ium-4-yl)methyl]tetrahydrofuran-2-one CAS Name: 3-ethyl-4-[(1-methyl-3-octadecyl-4-imidazol-1-iumyl)methyl]-2-oxolanone IUPAC Name: 3-ethyl-4-[(1-methyl-3-octadecylimidazol-1-ium-4-yl)methyl]oxolan-2-one Traditional Name: 3-ethyl-4-[(1-methyl-3-stearyl-imidazol-1-ium-4-yl)methyl]tetrahydrofuran-2-one Formula: C29H53N2O2+ MolecularWeight: 461.74332

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCN1C=[N+](C=C1CC2COC(=O)C2CC)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCN1C=[N+](C=C1CC2COC(=O)C2CC)C

InChI

InChI=1S/C29H53N2O2/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-31-25-30(3)23-27(31)22-26-24-33-29(32)28(26)5-2/h23,25-26,28H,4-22,24H2,1-3H3/q+1