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

Systemtic Name: methyl 1-[3-[3-[(E)-hydroxyiminomethyl]pyridin-1-ium-1-yl]propyl]pyridin-1-ium-3-carboxylate dibromide Openeye Name: methyl 1-[3-[3-[(E)-hydroxyiminomethyl]pyridin-1-ium-1-yl]propyl]pyridin-1-ium-3-carboxylate dibromide CAS Name: 1-[3-[3-[(E)-hydroxyiminomethyl]-1-pyridin-1-iumyl]propyl]-3-pyridin-1-iumcarboxylic acid methyl ester dibromide IUPAC Name: methyl 1-[3-[3-[(E)-hydroxyiminomethyl]pyridin-1-ium-1-yl]propyl]pyridin-1-ium-3-carboxylate dibromide Traditional Name: 1-[3-[3-[(E)-hydroximinomethyl]pyridin-1-ium-1-yl]propyl]pyridin-1-ium-3-carboxylic acid methyl ester dibromide Formula: C16H19Br2N3O3 MolecularWeight: 461.14836

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N3O3.2BrH/c1-22-16(20)15-6-3-8-19(13-15)10-4-9-18-7-2-5-14(12-18)11-17-21;;/h2-3,5-8,11-13H,4,9-10H2,1H3;2*1H/q+1;;/p-1/b17-11+;;