3-hexyl-1-[2-(1H-imidazol-3-ium-5-yl)ethyl]-4-oxidanylidene-pyridin-2-olate

Systemtic Name: 3-hexyl-1-[2-(1H-imidazol-3-ium-5-yl)ethyl]-4-oxidanylidene-pyridin-2-olate Openeye Name: 3-hexyl-1-[2-(1H-imidazol-3-ium-5-yl)ethyl]-4-oxo-pyridin-2-olate CAS Name: 3-hexyl-1-[2-(1H-imidazol-3-ium-5-yl)ethyl]-4-oxo-2-pyridinolate IUPAC Name: 3-hexyl-1-[2-(1H-imidazol-3-ium-5-yl)ethyl]-4-oxopyridin-2-olate Traditional Name: 3-hexyl-1-[2-(1H-imidazol-3-ium-5-yl)ethyl]-4-keto-pyridin-2-olate Formula: C16H23N3O2 MolecularWeight: 289.37272

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C(N(C=CC1=O)CCC2=C[NH+]=CN2)[O-]

Isomeric SMILES

CCCCCCC1=C(N(C=CC1=O)CCC2=C[NH+]=CN2)[O-]

InChI

InChI=1S/C16H23N3O2/c1-2-3-4-5-6-14-15(20)8-10-19(16(14)21)9-7-13-11-17-12-18-13/h8,10-12,21H,2-7,9H2,1H3,(H,17,18)