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

Systemtic Name: [(1R,2S,4R)-2,4-dimethylcyclohexyl]methyl 2-piperidin-1-ium-1-ylethanoate Openeye Name: [(1R,2S,4R)-2,4-dimethylcyclohexyl]methyl 2-piperidin-1-ium-1-ylacetate CAS Name: 2-(1-piperidin-1-iumyl)acetic acid [(1R,2S,4R)-2,4-dimethylcyclohexyl]methyl ester IUPAC Name: [(1R,2S,4R)-2,4-dimethylcyclohexyl]methyl 2-piperidin-1-ium-1-ylacetate Traditional Name: 2-piperidin-1-ium-1-ylacetic acid [(1R,2S,4R)-2,4-dimethylcyclohexyl]methyl ester Formula: C16H30NO2+ MolecularWeight: 268.4149

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)C)COC(=O)C[NH+]2CCCCC2

Isomeric SMILES

C[C@@H]1CC[C@H]([C@H](C1)C)COC(=O)C[NH+]2CCCCC2

InChI

InChI=1S/C16H29NO2/c1-13-6-7-15(14(2)10-13)12-19-16(18)11-17-8-4-3-5-9-17/h13-15H,3-12H2,1-2H3/p+1/t13-,14+,15+/m1/s1