[1-[8-(4-aminocarbonylpyridin-1-ium-1-yl)octyl]pyridin-4-ylidene]methyl-oxidanylidene-azanium dibromide

Systemtic Name: [1-[8-(4-aminocarbonylpyridin-1-ium-1-yl)octyl]pyridin-4-ylidene]methyl-oxidanylidene-azanium dibromide Openeye Name: [1-[8-(4-carbamoylpyridin-1-ium-1-yl)octyl]-4-pyridylidene]methyl-oxo-ammonium dibromide CAS Name: [1-[8-(4-carbamoyl-1-pyridin-1-iumyl)octyl]-4-pyridinylidene]methyl-oxoammonium dibromide IUPAC Name: [1-[8-(4-carbamoylpyridin-1-ium-1-yl)octyl]pyridin-4-ylidene]methyl-oxoazanium dibromide Traditional Name: [1-[8-(4-carbamoylpyridin-1-ium-1-yl)octyl]-4-pyridylidene]methyl-keto-ammonium dibromide Formula: C20H28Br2N4O2 MolecularWeight: 516.26992

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N4O2.2BrH/c21-20(25)19-9-15-24(16-10-19)12-6-4-2-1-3-5-11-23-13-7-18(8-14-23)17-22-26;;/h7-10,13-17H,1-6,11-12H2,(H-,21,25);2*1H