(4-tetradecyloxolan-2-yl)methyl 6-(1H-imidazol-3-ium-3-yl)hexanoate

Systemtic Name: (4-tetradecyloxolan-2-yl)methyl 6-(1H-imidazol-3-ium-3-yl)hexanoate Openeye Name: (4-tetradecyltetrahydrofuran-2-yl)methyl 6-(1H-imidazol-3-ium-3-yl)hexanoate CAS Name: 6-(1H-imidazol-3-ium-3-yl)hexanoic acid (4-tetradecyl-2-oxolanyl)methyl ester IUPAC Name: (4-tetradecyloxolan-2-yl)methyl 6-(1H-imidazol-3-ium-3-yl)hexanoate Traditional Name: 6-(1H-imidazol-3-ium-3-yl)hexanoic acid (4-myristyltetrahydrofuran-2-yl)methyl ester Formula: C28H51N2O3+ MolecularWeight: 463.71614

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCC1CC(OC1)COC(=O)CCCCC[N+]2=CNC=C2

Isomeric SMILES

CCCCCCCCCCCCCCC1CC(OC1)COC(=O)CCCCC[N+]2=CNC=C2

InChI

InChI=1S/C28H50N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-14-17-26-22-27(32-23-26)24-33-28(31)18-15-13-16-20-30-21-19-29-25-30/h19,21,25-27H,2-18,20,22-24H2,1H3/p+1