[1-[6-(4-aminocarbonylpyridin-1-ium-1-yl)hexyl]pyridin-4-ylidene]methyl-oxidanylidene-azanium dibromide

Systemtic Name: [1-[6-(4-aminocarbonylpyridin-1-ium-1-yl)hexyl]pyridin-4-ylidene]methyl-oxidanylidene-azanium dibromide Openeye Name: [1-[6-(4-carbamoylpyridin-1-ium-1-yl)hexyl]-4-pyridylidene]methyl-oxo-ammonium dibromide CAS Name: [1-[6-(4-carbamoyl-1-pyridin-1-iumyl)hexyl]-4-pyridinylidene]methyl-oxoammonium dibromide IUPAC Name: [1-[6-(4-carbamoylpyridin-1-ium-1-yl)hexyl]pyridin-4-ylidene]methyl-oxoazanium dibromide Traditional Name: [1-[6-(4-carbamoylpyridin-1-ium-1-yl)hexyl]-4-pyridylidene]methyl-keto-ammonium dibromide Formula: C18H24Br2N4O2 MolecularWeight: 488.21676

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N4O2.2BrH/c19-18(23)17-7-13-22(14-8-17)10-4-2-1-3-9-21-11-5-16(6-12-21)15-20-24;;/h5-8,11-15H,1-4,9-10H2,(H-,19,23);2*1H