1-[3-[3-[(E)-hydroxyiminomethyl]pyridin-1-ium-1-yl]propyl]pyridin-1-ium-4-carboxamide dibromide

Systemtic Name: 1-[3-[3-[(E)-hydroxyiminomethyl]pyridin-1-ium-1-yl]propyl]pyridin-1-ium-4-carboxamide dibromide Openeye Name: 1-[3-[3-[(E)-hydroxyiminomethyl]pyridin-1-ium-1-yl]propyl]pyridin-1-ium-4-carboxamide dibromide CAS Name: 1-[3-[3-[(E)-hydroxyiminomethyl]-1-pyridin-1-iumyl]propyl]-4-pyridin-1-iumcarboxamide dibromide IUPAC Name: 1-[3-[3-[(E)-hydroxyiminomethyl]pyridin-1-ium-1-yl]propyl]pyridin-1-ium-4-carboxamide dibromide Traditional Name: 1-[3-[3-[(E)-hydroximinomethyl]pyridin-1-ium-1-yl]propyl]pyridin-1-ium-4-carboxamide dibromide Formula: C15H18Br2N4O2 MolecularWeight: 446.13702

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H16N4O2.2BrH/c16-15(20)14-4-9-18(10-5-14)7-2-8-19-6-1-3-13(12-19)11-17-21;;/h1,3-6,9-12H,2,7-8H2,(H-2,16,20,21);2*1H/b17-11+;;