1-[1-[[3-[(E)-hydroxyiminomethyl]pyridin-1-ium-1-yl]methoxymethyl]pyridin-1-ium-3-yl]-3-methyl-butan-1-one

Systemtic Name: 1-[1-[[3-[(E)-hydroxyiminomethyl]pyridin-1-ium-1-yl]methoxymethyl]pyridin-1-ium-3-yl]-3-methyl-butan-1-one Openeye Name: (3E)-1-[[3-(3-methylbutanoyl)pyridin-1-ium-1-yl]methoxymethyl]pyridin-1-ium-3-carbaldehyde oxime CAS Name: (3E)-1-[[3-(3-methyl-1-oxobutyl)-1-pyridin-1-iumyl]methoxymethyl]-3-pyridin-1-iumcarboxaldehyde oxime IUPAC Name: 1-[1-[[3-[(E)-hydroxyiminomethyl]pyridin-1-ium-1-yl]methoxymethyl]pyridin-1-ium-3-yl]-3-methylbutan-1-one Traditional Name: (3E)-1-[(3-isovalerylpyridin-1-ium-1-yl)methoxymethyl]pyridin-1-ium-3-carbaldehyde oxime Formula: C18H23N3O3+2 MolecularWeight: 329.39352

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)C1=C[N+](=CC=C1)COC[N+]2=CC=CC(=C2)C=NO

Isomeric SMILES

CC(C)CC(=O)C1=C[N+](=CC=C1)COC[N+]2=CC=CC(=C2)/C=N/O

InChI

InChI=1S/C18H22N3O3/c1-15(2)9-18(22)17-6-4-8-21(12-17)14-24-13-20-7-3-5-16(11-20)10-19-23/h3-8,10-12,15H,9,13-14H2,1-2H3/q+1/p+1/b19-10+