1-(azepan-1-yl)-2-[3-(hydroxyiminomethyl)pyridin-1-ium-1-yl]ethanone chloride

Systemtic Name: 1-(azepan-1-yl)-2-[3-(hydroxyiminomethyl)pyridin-1-ium-1-yl]ethanone chloride Openeye Name: 1-[2-(azepan-1-yl)-2-oxo-ethyl]pyridin-1-ium-3-carbaldehyde oxime chloride CAS Name: 1-[2-(1-azepanyl)-2-oxoethyl]-3-pyridin-1-iumcarboxaldehyde oxime chloride IUPAC Name: 1-(azepan-1-yl)-2-[3-(hydroxyiminomethyl)pyridin-1-ium-1-yl]ethanone chloride Traditional Name: 1-[2-(azepan-1-yl)-2-keto-ethyl]pyridin-1-ium-3-carbaldehyde oxime chloride Formula: C14H20ClN3O2 MolecularWeight: 297.7805

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C[N+]2=CC=CC(=C2)C=NO.[Cl-]

Isomeric SMILES

C1CCCN(CC1)C(=O)C[N+]2=CC=CC(=C2)C=NO.[Cl-]

InChI

InChI=1S/C14H19N3O2.ClH/c18-14(17-8-3-1-2-4-9-17)12-16-7-5-6-13(11-16)10-15-19;/h5-7,10-11H,1-4,8-9,12H2;1H