[1-[3-(4-aminocarbonylpyridin-1-ium-1-yl)propyl]pyridin-4-ylidene]methyl-oxidanylidene-azanium dibromide

Systemtic Name: [1-[3-(4-aminocarbonylpyridin-1-ium-1-yl)propyl]pyridin-4-ylidene]methyl-oxidanylidene-azanium dibromide Openeye Name: [1-[3-(4-carbamoylpyridin-1-ium-1-yl)propyl]-4-pyridylidene]methyl-oxo-ammonium dibromide CAS Name: [1-[3-(4-carbamoyl-1-pyridin-1-iumyl)propyl]-4-pyridinylidene]methyl-oxoammonium dibromide IUPAC Name: [1-[3-(4-carbamoylpyridin-1-ium-1-yl)propyl]pyridin-4-ylidene]methyl-oxoazanium dibromide Traditional Name: [1-[3-(4-carbamoylpyridin-1-ium-1-yl)propyl]-4-pyridylidene]methyl-keto-ammonium dibromide Formula: C15H18Br2N4O2 MolecularWeight: 446.13702

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H16N4O2.2BrH/c16-15(20)14-4-10-19(11-5-14)7-1-6-18-8-2-13(3-9-18)12-17-21;;/h2-5,8-12H,1,6-7H2,(H-,16,20);2*1H