[(1R,2S,5S)-5-methyl-2-propan-2-yl-cyclohexyl] 2-morpholin-4-ium-4-ylethanoate

Systemtic Name: [(1R,2S,5S)-5-methyl-2-propan-2-yl-cyclohexyl] 2-morpholin-4-ium-4-ylethanoate Openeye Name: [(1R,2S,5S)-2-isopropyl-5-methyl-cyclohexyl] 2-morpholin-4-ium-4-ylacetate CAS Name: 2-(4-morpholin-4-iumyl)acetic acid [(1R,2S,5S)-5-methyl-2-propan-2-ylcyclohexyl] ester IUPAC Name: [(1R,2S,5S)-5-methyl-2-propan-2-ylcyclohexyl] 2-morpholin-4-ium-4-ylacetate Traditional Name: 2-morpholin-4-ium-4-ylacetic acid [(1R,2S,5S)-2-isopropyl-5-methyl-cyclohexyl] ester Formula: C16H30NO3+ MolecularWeight: 284.4143

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H29NO3/c1-12(2)14-5-4-13(3)10-15(14)20-16(18)11-17-6-8-19-9-7-17/h12-15H,4-11H2,1-3H3/p+1/t13-,14-,15+/m0/s1