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

Systemtic Name: 1-[3-[3-[(E)-hydroxyiminomethyl]pyridin-1-ium-1-yl]propyl]pyridin-1-ium-3-carboxamide dibromide Openeye Name: 1-[3-[3-[(E)-hydroxyiminomethyl]pyridin-1-ium-1-yl]propyl]pyridin-1-ium-3-carboxamide dibromide CAS Name: 1-[3-[3-[(E)-hydroxyiminomethyl]-1-pyridin-1-iumyl]propyl]-3-pyridin-1-iumcarboxamide dibromide IUPAC Name: 1-[3-[3-[(E)-hydroxyiminomethyl]pyridin-1-ium-1-yl]propyl]pyridin-1-ium-3-carboxamide dibromide Traditional Name: 1-[3-[3-[(E)-hydroximinomethyl]pyridin-1-ium-1-yl]propyl]pyridin-1-ium-3-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=CC(=C2)C(=O)N)C=NO.[Br-].[Br-]

Isomeric SMILES

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

InChI

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