2-(3,3-dimethyl-5-oxidanylidene-cyclohexylidene)azaniumylethanoate

Systemtic Name: 2-(3,3-dimethyl-5-oxidanylidene-cyclohexylidene)azaniumylethanoate Openeye Name: 2-(3,3-dimethyl-5-oxo-cyclohexylidene)ammonioacetate CAS Name: 2-(3,3-dimethyl-5-oxocyclohexylidene)ammonioacetate IUPAC Name: 2-(3,3-dimethyl-5-oxocyclohexylidene)azaniumylacetate Traditional Name: 2-(5-keto-3,3-dimethyl-cyclohexylidene)ammonioacetate Formula: C10H15NO3 MolecularWeight: 197.231

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=[NH+]CC(=O)[O-])CC(=O)C1)C

Isomeric SMILES

CC1(CC(=[NH+]CC(=O)[O-])CC(=O)C1)C

InChI

InChI=1S/C10H15NO3/c1-10(2)4-7(3-8(12)5-10)11-6-9(13)14/h3-6H2,1-2H3,(H,13,14)