[(2E)-2-[1-(4-cyclohexylbutanoyl)-1-methyl-2-oxidanylidene-azetidin-1-ium-3-ylidene]ethyl] butanoate

Systemtic Name: [(2E)-2-[1-(4-cyclohexylbutanoyl)-1-methyl-2-oxidanylidene-azetidin-1-ium-3-ylidene]ethyl] butanoate Openeye Name: [(2E)-2-[1-(4-cyclohexylbutanoyl)-1-methyl-2-oxo-azetidin-1-ium-3-ylidene]ethyl] butanoate CAS Name: butanoic acid [(2E)-2-[1-(4-cyclohexyl-1-oxobutyl)-1-methyl-2-oxo-3-azetidin-1-iumylidene]ethyl] ester IUPAC Name: [(2E)-2-[1-(4-cyclohexylbutanoyl)-1-methyl-2-oxoazetidin-1-ium-3-ylidene]ethyl] butanoate Traditional Name: butyric acid [(2E)-2-[1-(4-cyclohexylbutanoyl)-2-keto-1-methyl-azetidin-1-ium-3-ylidene]ethyl] ester Formula: C20H32NO4+ MolecularWeight: 350.47238

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OCC=C1C[N+](C1=O)(C)C(=O)CCCC2CCCCC2

Isomeric SMILES

CCCC(=O)OC/C=C/1\C[N+](C1=O)(C)C(=O)CCCC2CCCCC2

InChI

InChI=1S/C20H32NO4/c1-3-8-19(23)25-14-13-17-15-21(2,20(17)24)18(22)12-7-11-16-9-5-4-6-10-16/h13,16H,3-12,14-15H2,1-2H3/q+1/b17-13+