1,3-benzodioxol-5-ylmethyl-[4-(2,2-dimethyloxan-4-yl)-5-phenyl-pentyl]azanium; 2-oxidanyl-2-oxidanylidene-ethanoate

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[4-(2,2-dimethyloxan-4-yl)-5-phenyl-pentyl]azanium; 2-oxidanyl-2-oxidanylidene-ethanoate Openeye Name: 1,3-benzodioxol-5-ylmethyl-[4-(2,2-dimethyltetrahydropyran-4-yl)-5-phenyl-pentyl]ammonium; 2-hydroxy-2-oxo-acetate CAS Name: 1,3-benzodioxol-5-ylmethyl-[4-(2,2-dimethyl-4-oxanyl)-5-phenylpentyl]ammonium; 2-hydroxy-2-oxoacetate IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[4-(2,2-dimethyloxan-4-yl)-5-phenylpentyl]azanium; 2-hydroxy-2-oxoacetate Traditional Name: [4-(2,2-dimethyltetrahydropyran-4-yl)-5-phenyl-pentyl]-piperonyl-ammonium binoxalate Formula: C28H37NO7 MolecularWeight: 499.59588

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(CCO1)C(CCC[NH2+]CC2=CC3=C(C=C2)OCO3)CC4=CC=CC=C4)C.C(=O)(C(=O)[O-])O

Isomeric SMILES

CC1(CC(CCO1)C(CCC[NH2+]CC2=CC3=C(C=C2)OCO3)CC4=CC=CC=C4)C.C(=O)(C(=O)[O-])O

InChI

InChI=1S/C26H35NO3.C2H2O4/c1-26(2)17-23(12-14-30-26)22(15-20-7-4-3-5-8-20)9-6-13-27-18-21-10-11-24-25(16-21)29-19-28-24;3-1(4)2(5)6/h3-5,7-8,10-11,16,22-23,27H,6,9,12-15,17-19H2,1-2H3;(H,3,4)(H,5,6)