[1-[9-(4-aminocarbonylpyridin-1-ium-1-yl)nonyl]pyridin-4-ylidene]methyl-oxidanylidene-azanium dibromide

Systemtic Name: [1-[9-(4-aminocarbonylpyridin-1-ium-1-yl)nonyl]pyridin-4-ylidene]methyl-oxidanylidene-azanium dibromide Openeye Name: [1-[9-(4-carbamoylpyridin-1-ium-1-yl)nonyl]-4-pyridylidene]methyl-oxo-ammonium dibromide CAS Name: [1-[9-(4-carbamoyl-1-pyridin-1-iumyl)nonyl]-4-pyridinylidene]methyl-oxoammonium dibromide IUPAC Name: [1-[9-(4-carbamoylpyridin-1-ium-1-yl)nonyl]pyridin-4-ylidene]methyl-oxoazanium dibromide Traditional Name: [1-[9-(4-carbamoylpyridin-1-ium-1-yl)nonyl]-4-pyridylidene]methyl-keto-ammonium dibromide Formula: C21H30Br2N4O2 MolecularWeight: 530.2965

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N4O2.2BrH/c22-21(26)20-10-16-25(17-11-20)13-7-5-3-1-2-4-6-12-24-14-8-19(9-15-24)18-23-27;;/h8-11,14-18H,1-7,12-13H2,(H-,22,26);2*1H