3-[(Z)-(3-oxidanylidene-1-azoniabicyclo[2.2.2]octan-2-ylidene)methyl]phenolate

Systemtic Name: 3-[(Z)-(3-oxidanylidene-1-azoniabicyclo[2.2.2]octan-2-ylidene)methyl]phenolate Openeye Name: 3-[(Z)-(3-oxoquinuclidin-1-ium-2-ylidene)methyl]phenolate CAS Name: 3-[(Z)-(3-oxo-1-azoniabicyclo[2.2.2]octan-2-ylidene)methyl]phenolate IUPAC Name: 3-[(Z)-(3-oxo-1-azoniabicyclo[2.2.2]octan-2-ylidene)methyl]phenolate Traditional Name: 3-[(Z)-(3-ketoquinuclidin-1-ium-2-ylidene)methyl]phenolate Formula: C14H15NO2 MolecularWeight: 229.2744

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+]2CCC1C(=O)C2=CC3=CC(=CC=C3)[O-]

Isomeric SMILES

C1C[NH+]\2CCC1C(=O)/C2=C/C3=CC(=CC=C3)[O-]

InChI

InChI=1S/C14H15NO2/c16-12-3-1-2-10(8-12)9-13-14(17)11-4-6-15(13)7-5-11/h1-3,8-9,11,16H,4-7H2/b13-9-