[3-(2,2-dimethyloxan-4-yl)-6-methyl-heptyl]-(furan-2-ylmethyl)azanium; 2-oxidanyl-2-oxidanylidene-ethanoate

Systemtic Name: [3-(2,2-dimethyloxan-4-yl)-6-methyl-heptyl]-(furan-2-ylmethyl)azanium; 2-oxidanyl-2-oxidanylidene-ethanoate Openeye Name: [3-(2,2-dimethyltetrahydropyran-4-yl)-6-methyl-heptyl]-(2-furylmethyl)ammonium; 2-hydroxy-2-oxo-acetate CAS Name: [3-(2,2-dimethyl-4-oxanyl)-6-methylheptyl]-(2-furanylmethyl)ammonium; 2-hydroxy-2-oxoacetate IUPAC Name: [3-(2,2-dimethyloxan-4-yl)-6-methylheptyl]-(furan-2-ylmethyl)azanium; 2-hydroxy-2-oxoacetate Traditional Name: [3-(2,2-dimethyltetrahydropyran-4-yl)-6-methyl-heptyl]-(2-furfuryl)ammonium binoxalate Formula: C22H37NO6 MolecularWeight: 411.53228

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC(CC[NH2+]CC1=CC=CO1)C2CCOC(C2)(C)C.C(=O)(C(=O)[O-])O

Isomeric SMILES

CC(C)CCC(CC[NH2+]CC1=CC=CO1)C2CCOC(C2)(C)C.C(=O)(C(=O)[O-])O

InChI

InChI=1S/C20H35NO2.C2H2O4/c1-16(2)7-8-17(18-10-13-23-20(3,4)14-18)9-11-21-15-19-6-5-12-22-19;3-1(4)2(5)6/h5-6,12,16-18,21H,7-11,13-15H2,1-4H3;(H,3,4)(H,5,6)