2-oxidanyl-2-oxidanylidene-ethanoate; 3,3,5-trimethyl-7-(3-phenylprop-2-ynyl)-7-azoniabicyclo[3.2.1]octane

Systemtic Name: 2-oxidanyl-2-oxidanylidene-ethanoate; 3,3,5-trimethyl-7-(3-phenylprop-2-ynyl)-7-azoniabicyclo[3.2.1]octane Openeye Name: 2-hydroxy-2-oxo-acetate; 3,3,5-trimethyl-7-(3-phenylprop-2-ynyl)-7-azoniabicyclo[3.2.1]octane CAS Name: 2-hydroxy-2-oxoacetate; 3,3,5-trimethyl-7-(3-phenylprop-2-ynyl)-7-azoniabicyclo[3.2.1]octane IUPAC Name: 2-hydroxy-2-oxoacetate; 3,3,5-trimethyl-7-(3-phenylprop-2-ynyl)-7-azoniabicyclo[3.2.1]octane Traditional Name: 3,3,5-trimethyl-7-(3-phenylprop-2-ynyl)-7-azoniabicyclo[3.2.1]octane binoxalate Formula: C21H27NO4 MolecularWeight: 357.44338

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2CC(C1)(C[NH+]2CC#CC3=CC=CC=C3)C)C.C(=O)(C(=O)[O-])O

Isomeric SMILES

CC1(CC2CC(C1)(C[NH+]2CC#CC3=CC=CC=C3)C)C.C(=O)(C(=O)[O-])O

InChI

InChI=1S/C19H25N.C2H2O4/c1-18(2)12-17-13-19(3,14-18)15-20(17)11-7-10-16-8-5-4-6-9-16;3-1(4)2(5)6/h4-6,8-9,17H,11-15H2,1-3H3;(H,3,4)(H,5,6)