1-(5-bicyclo[2.2.1]hept-2-enyl)-3-piperidin-1-ium-1-yl-propan-1-one; 2-oxidanyl-2-oxidanylidene-ethanoate

Systemtic Name: 1-(5-bicyclo[2.2.1]hept-2-enyl)-3-piperidin-1-ium-1-yl-propan-1-one; 2-oxidanyl-2-oxidanylidene-ethanoate Openeye Name: 1-(5-bicyclo[2.2.1]hept-2-enyl)-3-piperidin-1-ium-1-yl-propan-1-one; 2-hydroxy-2-oxo-acetate CAS Name: 1-(5-bicyclo[2.2.1]hept-2-enyl)-3-(1-piperidin-1-iumyl)-1-propanone; 2-hydroxy-2-oxoacetate IUPAC Name: 1-(5-bicyclo[2.2.1]hept-2-enyl)-3-piperidin-1-ium-1-ylpropan-1-one; 2-hydroxy-2-oxoacetate Traditional Name: 1-(5-bicyclo[2.2.1]hept-2-enyl)-3-piperidin-1-ium-1-yl-propan-1-one binoxalate Formula: C17H25NO5 MolecularWeight: 323.3841

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCC(=O)C2CC3CC2C=C3.C(=O)(C(=O)[O-])O

Isomeric SMILES

C1CC[NH+](CC1)CCC(=O)C2CC3CC2C=C3.C(=O)(C(=O)[O-])O

InChI

InChI=1S/C15H23NO.C2H2O4/c17-15(6-9-16-7-2-1-3-8-16)14-11-12-4-5-13(14)10-12;3-1(4)2(5)6/h4-5,12-14H,1-3,6-11H2;(H,3,4)(H,5,6)