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

Systemtic Name: (4-tetradecyloxolan-2-yl)methyl 6-(3-methylimidazol-3-ium-1-yl)hexanoate Openeye Name: (4-tetradecyltetrahydrofuran-2-yl)methyl 6-(3-methylimidazol-3-ium-1-yl)hexanoate CAS Name: 6-(3-methyl-1-imidazol-3-iumyl)hexanoic acid (4-tetradecyl-2-oxolanyl)methyl ester IUPAC Name: (4-tetradecyloxolan-2-yl)methyl 6-(3-methylimidazol-3-ium-1-yl)hexanoate Traditional Name: 6-(3-methylimidazol-3-ium-1-yl)hexanoic acid (4-myristyltetrahydrofuran-2-yl)methyl ester Formula: C29H53N2O3+ MolecularWeight: 477.74272

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCC1CC(OC1)COC(=O)CCCCCN2C=C[N+](=C2)C

Isomeric SMILES

CCCCCCCCCCCCCCC1CC(OC1)COC(=O)CCCCCN2C=C[N+](=C2)C

InChI

InChI=1S/C29H53N2O3/c1-3-4-5-6-7-8-9-10-11-12-13-15-18-27-23-28(33-24-27)25-34-29(32)19-16-14-17-20-31-22-21-30(2)26-31/h21-22,26-28H,3-20,23-25H2,1-2H3/q+1