[1-[4-(4-aminocarbonylpyridin-1-ium-1-yl)butyl]pyridin-4-ylidene]methyl-oxidanylidene-azanium dibromide

Systemtic Name: [1-[4-(4-aminocarbonylpyridin-1-ium-1-yl)butyl]pyridin-4-ylidene]methyl-oxidanylidene-azanium dibromide Openeye Name: [1-[4-(4-carbamoylpyridin-1-ium-1-yl)butyl]-4-pyridylidene]methyl-oxo-ammonium dibromide CAS Name: [1-[4-(4-carbamoyl-1-pyridin-1-iumyl)butyl]-4-pyridinylidene]methyl-oxoammonium dibromide IUPAC Name: [1-[4-(4-carbamoylpyridin-1-ium-1-yl)butyl]pyridin-4-ylidene]methyl-oxoazanium dibromide Traditional Name: [1-[4-(4-carbamoylpyridin-1-ium-1-yl)butyl]-4-pyridylidene]methyl-keto-ammonium dibromide Formula: C16H20Br2N4O2 MolecularWeight: 460.1636

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N4O2.2BrH/c17-16(21)15-5-11-20(12-6-15)8-2-1-7-19-9-3-14(4-10-19)13-18-22;;/h3-6,9-13H,1-2,7-8H2,(H-,17,21);2*1H