1-[3-(2,2-dimethyloxan-4-yl)-6-methyl-heptyl]pyrrolidin-1-ium; 2-oxidanyl-2-oxidanylidene-ethanoate

Systemtic Name: 1-[3-(2,2-dimethyloxan-4-yl)-6-methyl-heptyl]pyrrolidin-1-ium; 2-oxidanyl-2-oxidanylidene-ethanoate Openeye Name: 1-[3-(2,2-dimethyltetrahydropyran-4-yl)-6-methyl-heptyl]pyrrolidin-1-ium; 2-hydroxy-2-oxo-acetate CAS Name: 1-[3-(2,2-dimethyl-4-oxanyl)-6-methylheptyl]pyrrolidin-1-ium; 2-hydroxy-2-oxoacetate IUPAC Name: 1-[3-(2,2-dimethyloxan-4-yl)-6-methylheptyl]pyrrolidin-1-ium; 2-hydroxy-2-oxoacetate Traditional Name: 1-[3-(2,2-dimethyltetrahydropyran-4-yl)-6-methyl-heptyl]pyrrolidin-1-ium binoxalate Formula: C21H39NO5 MolecularWeight: 385.53806

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC(CC[NH+]1CCCC1)C2CCOC(C2)(C)C.C(=O)(C(=O)[O-])O

Isomeric SMILES

CC(C)CCC(CC[NH+]1CCCC1)C2CCOC(C2)(C)C.C(=O)(C(=O)[O-])O

InChI

InChI=1S/C19H37NO.C2H2O4/c1-16(2)7-8-17(9-13-20-11-5-6-12-20)18-10-14-21-19(3,4)15-18;3-1(4)2(5)6/h16-18H,5-15H2,1-4H3;(H,3,4)(H,5,6)