[(1R,2S,4R)-2,4-dimethylcyclohexyl]methyl 2-morpholin-4-ium-4-ylethanoate

Systemtic Name: [(1R,2S,4R)-2,4-dimethylcyclohexyl]methyl 2-morpholin-4-ium-4-ylethanoate Openeye Name: [(1R,2S,4R)-2,4-dimethylcyclohexyl]methyl 2-morpholin-4-ium-4-ylacetate CAS Name: 2-(4-morpholin-4-iumyl)acetic acid [(1R,2S,4R)-2,4-dimethylcyclohexyl]methyl ester IUPAC Name: [(1R,2S,4R)-2,4-dimethylcyclohexyl]methyl 2-morpholin-4-ium-4-ylacetate Traditional Name: 2-morpholin-4-ium-4-ylacetic acid [(1R,2S,4R)-2,4-dimethylcyclohexyl]methyl ester Formula: C15H28NO3+ MolecularWeight: 270.38772

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)C)COC(=O)C[NH+]2CCOCC2

Isomeric SMILES

C[C@@H]1CC[C@H]([C@H](C1)C)COC(=O)C[NH+]2CCOCC2

InChI

InChI=1S/C15H27NO3/c1-12-3-4-14(13(2)9-12)11-19-15(17)10-16-5-7-18-8-6-16/h12-14H,3-11H2,1-2H3/p+1/t12-,13+,14+/m1/s1