5-[(Z)-1-azoniabicyclo[3.2.1]octan-6-ylidenemethyl]-3-methyl-1,2-oxazole; 2-oxidanyl-2-oxidanylidene-ethanoate

Systemtic Name: 5-[(Z)-1-azoniabicyclo[3.2.1]octan-6-ylidenemethyl]-3-methyl-1,2-oxazole; 2-oxidanyl-2-oxidanylidene-ethanoate Openeye Name: 5-[(Z)-1-azoniabicyclo[3.2.1]octan-6-ylidenemethyl]-3-methyl-isoxazole; 2-hydroxy-2-oxo-acetate CAS Name: 5-[(Z)-1-azoniabicyclo[3.2.1]octan-6-ylidenemethyl]-3-methylisoxazole; 2-hydroxy-2-oxoacetate IUPAC Name: 5-[(Z)-1-azoniabicyclo[3.2.1]octan-6-ylidenemethyl]-3-methyl-1,2-oxazole; 2-hydroxy-2-oxoacetate Traditional Name: 5-[(Z)-1-azoniabicyclo[3.2.1]octan-6-ylidenemethyl]-3-methyl-isoxazole binoxalate Formula: C14H18N2O5 MolecularWeight: 294.30312

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=C1)C=C2C[NH+]3CCCC2C3.C(=O)(C(=O)[O-])O

Isomeric SMILES

CC1=NOC(=C1)/C=C/2\C[NH+]3CCCC2C3.C(=O)(C(=O)[O-])O

InChI

InChI=1S/C12H16N2O.C2H2O4/c1-9-5-12(15-13-9)6-11-8-14-4-2-3-10(11)7-14;3-1(4)2(5)6/h5-6,10H,2-4,7-8H2,1H3;(H,3,4)(H,5,6)/b11-6+;