[1-[7-(4-aminocarbonylpyridin-1-ium-1-yl)heptyl]pyridin-4-ylidene]methyl-oxidanylidene-azanium dibromide

Systemtic Name: [1-[7-(4-aminocarbonylpyridin-1-ium-1-yl)heptyl]pyridin-4-ylidene]methyl-oxidanylidene-azanium dibromide Openeye Name: [1-[7-(4-carbamoylpyridin-1-ium-1-yl)heptyl]-4-pyridylidene]methyl-oxo-ammonium dibromide CAS Name: [1-[7-(4-carbamoyl-1-pyridin-1-iumyl)heptyl]-4-pyridinylidene]methyl-oxoammonium dibromide IUPAC Name: [1-[7-(4-carbamoylpyridin-1-ium-1-yl)heptyl]pyridin-4-ylidene]methyl-oxoazanium dibromide Traditional Name: [1-[7-(4-carbamoylpyridin-1-ium-1-yl)heptyl]-4-pyridylidene]methyl-keto-ammonium dibromide Formula: C19H26Br2N4O2 MolecularWeight: 502.24334

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H24N4O2.2BrH/c20-19(24)18-8-14-23(15-9-18)11-5-3-1-2-4-10-22-12-6-17(7-13-22)16-21-25;;/h6-9,12-16H,1-5,10-11H2,(H-,20,24);2*1H