[1-[1-(4-azanylpyridin-1-ium-1-yl)propyl]pyridin-4-ylidene]methyl-oxidanylidene-azanium dibromide

Systemtic Name: [1-[1-(4-azanylpyridin-1-ium-1-yl)propyl]pyridin-4-ylidene]methyl-oxidanylidene-azanium dibromide Openeye Name: [1-[1-(4-aminopyridin-1-ium-1-yl)propyl]-4-pyridylidene]methyl-oxo-ammonium dibromide CAS Name: [1-[1-(4-amino-1-pyridin-1-iumyl)propyl]-4-pyridinylidene]methyl-oxoammonium dibromide IUPAC Name: [1-[1-(4-aminopyridin-1-ium-1-yl)propyl]pyridin-4-ylidene]methyl-oxoazanium dibromide Traditional Name: [1-[1-(4-aminopyridin-1-ium-1-yl)propyl]-4-pyridylidene]methyl-keto-ammonium dibromide Formula: C14H18Br2N4O MolecularWeight: 418.12692

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Descriptors Computed from Structure

Canonical SMILES:

CCC(N1C=CC(=C[NH+]=O)C=C1)[N+]2=CC=C(C=C2)N.[Br-].[Br-]

Isomeric SMILES

CCC(N1C=CC(=C[NH+]=O)C=C1)[N+]2=CC=C(C=C2)N.[Br-].[Br-]

InChI

InChI=1S/C14H16N4O.2BrH/c1-2-14(18-9-5-13(15)6-10-18)17-7-3-12(4-8-17)11-16-19;;/h3-11,14-15H,2H2,1H3;2*1H