[1-[3-(4-cyanopyridin-1-ium-1-yl)propyl]pyridin-4-ylidene]methyl-oxidanylidene-azanium dibromide

Systemtic Name: [1-[3-(4-cyanopyridin-1-ium-1-yl)propyl]pyridin-4-ylidene]methyl-oxidanylidene-azanium dibromide Openeye Name: [1-[3-(4-cyanopyridin-1-ium-1-yl)propyl]-4-pyridylidene]methyl-oxo-ammonium dibromide CAS Name: [1-[3-(4-cyano-1-pyridin-1-iumyl)propyl]-4-pyridinylidene]methyl-oxoammonium dibromide IUPAC Name: [1-[3-(4-cyanopyridin-1-ium-1-yl)propyl]pyridin-4-ylidene]methyl-oxoazanium dibromide Traditional Name: [1-[3-(4-cyanopyridin-1-ium-1-yl)propyl]-4-pyridylidene]methyl-keto-ammonium dibromide Formula: C15H16Br2N4O MolecularWeight: 428.12174

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(C=CC1=C[NH+]=O)CCC[N+]2=CC=C(C=C2)C#N.[Br-].[Br-]

Isomeric SMILES

C1=CN(C=CC1=C[NH+]=O)CCC[N+]2=CC=C(C=C2)C#N.[Br-].[Br-]

InChI

InChI=1S/C15H15N4O.2BrH/c16-12-14-2-8-18(9-3-14)6-1-7-19-10-4-15(5-11-19)13-17-20;;/h2-5,8-11,13H,1,6-7H2;2*1H/q+1;;/p-1