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

Systemtic Name: [(1S,2S,4S)-2,4-dimethylcyclohexyl]methyl 2-pyrrolidin-1-ium-1-ylethanoate Openeye Name: [(1S,2S,4S)-2,4-dimethylcyclohexyl]methyl 2-pyrrolidin-1-ium-1-ylacetate CAS Name: 2-(1-pyrrolidin-1-iumyl)acetic acid [(1S,2S,4S)-2,4-dimethylcyclohexyl]methyl ester IUPAC Name: [(1S,2S,4S)-2,4-dimethylcyclohexyl]methyl 2-pyrrolidin-1-ium-1-ylacetate Traditional Name: 2-pyrrolidin-1-ium-1-ylacetic acid [(1S,2S,4S)-2,4-dimethylcyclohexyl]methyl ester Formula: C15H28NO2+ MolecularWeight: 254.38832

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)C)COC(=O)C[NH+]2CCCC2

Isomeric SMILES

C[C@H]1CC[C@@H]([C@H](C1)C)COC(=O)C[NH+]2CCCC2

InChI

InChI=1S/C15H27NO2/c1-12-5-6-14(13(2)9-12)11-18-15(17)10-16-7-3-4-8-16/h12-14H,3-11H2,1-2H3/p+1/t12-,13-,14+/m0/s1