3-azoniaspiro[2.5]octane; 3-oxidanylidenebutanoate

Systemtic Name: 3-azoniaspiro[2.5]octane; 3-oxidanylidenebutanoate Openeye Name: 3-azoniaspiro[2.5]octane; 3-oxobutanoate CAS Name: 3-azoniaspiro[2.5]octane; 3-oxobutanoate IUPAC Name: 3-azoniaspiro[2.5]octane; 3-oxobutanoate Traditional Name: acetoacetate; 3-azoniaspiro[2.5]octane Formula: C11H19NO3 MolecularWeight: 213.27346

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(=O)[O-].C1CC[N+]2(CC1)CC2

Isomeric SMILES

CC(=O)CC(=O)[O-].C1CC[N+]2(CC1)CC2

InChI

InChI=1S/C7H14N.C4H6O3/c1-2-4-8(5-3-1)6-7-8;1-3(5)2-4(6)7/h1-7H2;2H2,1H3,(H,6,7)/q+1;/p-1