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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C[N+](=C1)CCCN2C=CC(=C[NH+]=O)C=C2)C(=O)N.[Br-].[Br-]

Isomeric SMILES

C1=CC(=C[N+](=C1)CCCN2C=CC(=C[NH+]=O)C=C2)C(=O)N.[Br-].[Br-]

InChI

InChI=1S/C15H16N4O2.2BrH/c16-15(20)14-3-1-6-19(12-14)8-2-7-18-9-4-13(5-10-18)11-17-21;;/h1,3-6,9-12H,2,7-8H2,(H-,16,20);2*1H