1,3-bis[3-[(E)-hydroxyiminomethyl]pyridin-1-ium-1-yl]propan-2-one dichloride

Systemtic Name: 1,3-bis[3-[(E)-hydroxyiminomethyl]pyridin-1-ium-1-yl]propan-2-one dichloride Openeye Name: (3E)-1-[3-[3-[(E)-hydroxyiminomethyl]pyridin-1-ium-1-yl]-2-oxo-propyl]pyridin-1-ium-3-carbaldehyde oxime dichloride CAS Name: (3E)-1-[3-[3-[(E)-hydroxyiminomethyl]-1-pyridin-1-iumyl]-2-oxopropyl]-3-pyridin-1-iumcarboxaldehyde oxime dichloride IUPAC Name: 1,3-bis[3-[(E)-hydroxyiminomethyl]pyridin-1-ium-1-yl]propan-2-one dichloride Traditional Name: (3E)-1-[3-[3-[(E)-hydroximinomethyl]pyridin-1-ium-1-yl]-2-keto-propyl]pyridin-1-ium-3-carbaldehyde oxime dichloride Formula: C15H16Cl2N4O3 MolecularWeight: 371.21854

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C[N+](=C1)CC(=O)C[N+]2=CC=CC(=C2)C=NO)C=NO.[Cl-].[Cl-]

Isomeric SMILES

C1=CC(=C[N+](=C1)CC(=O)C[N+]2=CC=CC(=C2)/C=N/O)/C=N/O.[Cl-].[Cl-]

InChI

InChI=1S/C15H14N4O3.2ClH/c20-15(11-18-5-1-3-13(9-18)7-16-21)12-19-6-2-4-14(10-19)8-17-22;;/h1-10H,11-12H2;2*1H/b16-7+,17-8+;;