2-[3-[(E)-hydroxyiminomethyl]pyridin-1-ium-1-yl]-1-piperidin-1-yl-ethanone

Systemtic Name: 2-[3-[(E)-hydroxyiminomethyl]pyridin-1-ium-1-yl]-1-piperidin-1-yl-ethanone Openeye Name: (3E)-1-[2-oxo-2-(1-piperidyl)ethyl]pyridin-1-ium-3-carbaldehyde oxime CAS Name: (3E)-1-[2-oxo-2-(1-piperidinyl)ethyl]-3-pyridin-1-iumcarboxaldehyde oxime IUPAC Name: 2-[3-[(E)-hydroxyiminomethyl]pyridin-1-ium-1-yl]-1-piperidin-1-ylethanone Traditional Name: (3E)-1-(2-keto-2-piperidino-ethyl)pyridin-1-ium-3-carbaldehyde oxime Formula: C13H18N3O2+ MolecularWeight: 248.30092

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C[N+]2=CC=CC(=C2)C=NO

Isomeric SMILES

C1CCN(CC1)C(=O)C[N+]2=CC=CC(=C2)/C=N/O

InChI

InChI=1S/C13H17N3O2/c17-13(16-7-2-1-3-8-16)11-15-6-4-5-12(10-15)9-14-18/h4-6,9-10H,1-3,7-8,11H2/p+1/b14-9+