[(1R,8S)-1,2,3,4,5,6,7,8-octahydropyrrolizin-4-ium-1-yl]methyl (2S)-3-methyl-2-oxidanyl-2-[(1S)-1-oxidanylethyl]butanoate

Systemtic Name: [(1R,8S)-1,2,3,4,5,6,7,8-octahydropyrrolizin-4-ium-1-yl]methyl (2S)-3-methyl-2-oxidanyl-2-[(1S)-1-oxidanylethyl]butanoate Openeye Name: [(1R,8S)-1,2,3,4,5,6,7,8-octahydropyrrolizin-4-ium-1-yl]methyl (2S)-2-hydroxy-2-[(1S)-1-hydroxyethyl]-3-methyl-butanoate CAS Name: (2S)-2-hydroxy-2-[(1S)-1-hydroxyethyl]-3-methylbutanoic acid [(1R,8S)-1,2,3,4,5,6,7,8-octahydropyrrolizin-4-ium-1-yl]methyl ester IUPAC Name: [(1R,8S)-1,2,3,4,5,6,7,8-octahydropyrrolizin-4-ium-1-yl]methyl (2S)-2-hydroxy-2-[(1S)-1-hydroxyethyl]-3-methylbutanoate Traditional Name: (2S)-2-hydroxy-2-[(1S)-1-hydroxyethyl]-3-methyl-butyric acid [(1R,8S)-pyrrolizidin-4-ium-1-yl]methyl ester Formula: C15H28NO4+ MolecularWeight: 286.38712

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(C)O)(C(=O)OCC1CC[NH+]2C1CCC2)O

Isomeric SMILES

C[C@@H]([C@@](C(C)C)(C(=O)OC[C@@H]1CC[NH+]2[C@H]1CCC2)O)O

InChI

InChI=1S/C15H27NO4/c1-10(2)15(19,11(3)17)14(18)20-9-12-6-8-16-7-4-5-13(12)16/h10-13,17,19H,4-9H2,1-3H3/p+1/t11-,12-,13-,15-/m0/s1