1,3-benzodioxol-5-ylmethyl-[2-[4-(2-methoxyphenyl)-2,2-dimethyl-oxan-4-yl]ethyl]azanium; 2-oxidanyl-2-oxidanylidene-ethanoate

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[2-[4-(2-methoxyphenyl)-2,2-dimethyl-oxan-4-yl]ethyl]azanium; 2-oxidanyl-2-oxidanylidene-ethanoate Openeye Name: 1,3-benzodioxol-5-ylmethyl-[2-[4-(2-methoxyphenyl)-2,2-dimethyl-tetrahydropyran-4-yl]ethyl]ammonium; 2-hydroxy-2-oxo-acetate CAS Name: 1,3-benzodioxol-5-ylmethyl-[2-[4-(2-methoxyphenyl)-2,2-dimethyl-4-oxanyl]ethyl]ammonium; 2-hydroxy-2-oxoacetate IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[2-[4-(2-methoxyphenyl)-2,2-dimethyloxan-4-yl]ethyl]azanium; 2-hydroxy-2-oxoacetate Traditional Name: 2-[4-(2-methoxyphenyl)-2,2-dimethyl-tetrahydropyran-4-yl]ethyl-piperonyl-ammonium binoxalate Formula: C26H33NO8 MolecularWeight: 487.54212

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(CCO1)(CC[NH2+]CC2=CC3=C(C=C2)OCO3)C4=CC=CC=C4OC)C.C(=O)(C(=O)[O-])O

Isomeric SMILES

CC1(CC(CCO1)(CC[NH2+]CC2=CC3=C(C=C2)OCO3)C4=CC=CC=C4OC)C.C(=O)(C(=O)[O-])O

InChI

InChI=1S/C24H31NO4.C2H2O4/c1-23(2)16-24(11-13-29-23,19-6-4-5-7-20(19)26-3)10-12-25-15-18-8-9-21-22(14-18)28-17-27-21;3-1(4)2(5)6/h4-9,14,25H,10-13,15-17H2,1-3H3;(H,3,4)(H,5,6)