(5,5-dimethyl-1-oxidanyl-3,4-dihydropyrrol-1-ium-3-yl) 2,2-dimethyl-1-oxidanyl-3,4-dihydropyrrol-1-ium-3-carboxylate

Systemtic Name: (5,5-dimethyl-1-oxidanyl-3,4-dihydropyrrol-1-ium-3-yl) 2,2-dimethyl-1-oxidanyl-3,4-dihydropyrrol-1-ium-3-carboxylate Openeye Name: (1-hydroxy-5,5-dimethyl-3,4-dihydropyrrol-1-ium-3-yl) 1-hydroxy-2,2-dimethyl-3,4-dihydropyrrol-1-ium-3-carboxylate CAS Name: 1-hydroxy-2,2-dimethyl-3,4-dihydropyrrol-1-ium-3-carboxylic acid (1-hydroxy-5,5-dimethyl-3,4-dihydropyrrol-1-ium-3-yl) ester IUPAC Name: (1-hydroxy-5,5-dimethyl-3,4-dihydropyrrol-1-ium-3-yl) 1-hydroxy-2,2-dimethyl-3,4-dihydropyrrol-1-ium-3-carboxylate Traditional Name: 1-hydroxy-2,2-dimethyl-1-pyrrolin-1-ium-3-carboxylic acid (1-hydroxy-5,5-dimethyl-1-pyrrolin-1-ium-3-yl) ester Formula: C13H22N2O4+2 MolecularWeight: 270.32478

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(C=[N+]1O)OC(=O)C2CC=[N+](C2(C)C)O)C

Isomeric SMILES

CC1(CC(C=[N+]1O)OC(=O)C2CC=[N+](C2(C)C)O)C

InChI

InChI=1S/C13H22N2O4/c1-12(2)7-9(8-15(12)18)19-11(16)10-5-6-14(17)13(10,3)4/h6,8-10,17-18H,5,7H2,1-4H3/q+2