2-[2-(1H-imidazol-1-ium-4-yl)ethyliminomethyl]-5,5-dimethyl-3-oxidanylidene-cyclohexen-1-olate

Systemtic Name: 2-[2-(1H-imidazol-1-ium-4-yl)ethyliminomethyl]-5,5-dimethyl-3-oxidanylidene-cyclohexen-1-olate Openeye Name: 2-[2-(1H-imidazol-1-ium-4-yl)ethyliminomethyl]-5,5-dimethyl-3-oxo-cyclohexen-1-olate CAS Name: 2-[2-(1H-imidazol-1-ium-4-yl)ethyliminomethyl]-5,5-dimethyl-3-oxo-1-cyclohexenolate IUPAC Name: 2-[2-(1H-imidazol-1-ium-4-yl)ethyliminomethyl]-5,5-dimethyl-3-oxocyclohexen-1-olate Traditional Name: 2-[2-(1H-imidazol-1-ium-4-yl)ethyliminomethyl]-3-keto-5,5-dimethyl-cyclohexen-1-olate Formula: C14H19N3O2 MolecularWeight: 261.31956

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=C(C(=O)C1)C=NCCC2=C[NH2+]C=N2)[O-])C

Isomeric SMILES

CC1(CC(=C(C(=O)C1)C=NCCC2=C[NH2+]C=N2)[O-])C

InChI

InChI=1S/C14H19N3O2/c1-14(2)5-12(18)11(13(19)6-14)8-15-4-3-10-7-16-9-17-10/h7-9,18H,3-6H2,1-2H3,(H,16,17)