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

Systemtic Name: 1-(azepan-1-yl)-2-[3-[(E)-hydroxyiminomethyl]pyridin-1-ium-1-yl]ethanone Openeye Name: (3E)-1-[2-(azepan-1-yl)-2-oxo-ethyl]pyridin-1-ium-3-carbaldehyde oxime CAS Name: (3E)-1-[2-(1-azepanyl)-2-oxoethyl]-3-pyridin-1-iumcarboxaldehyde oxime IUPAC Name: 1-(azepan-1-yl)-2-[3-[(E)-hydroxyiminomethyl]pyridin-1-ium-1-yl]ethanone Traditional Name: (3E)-1-[2-(azepan-1-yl)-2-keto-ethyl]pyridin-1-ium-3-carbaldehyde oxime Formula: C14H20N3O2+ MolecularWeight: 262.3275

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1CCCN(CC1)C(=O)C[N+]2=CC=CC(=C2)/C=N/O

InChI

InChI=1S/C14H19N3O2/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/p+1/b15-10+