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

Systemtic Name: [1-[3-(3-methylsulfonylpyridin-1-ium-1-yl)propyl]pyridin-4-ylidene]methyl-oxidanylidene-azanium dibromide Openeye Name: [1-[3-(3-methylsulfonylpyridin-1-ium-1-yl)propyl]-4-pyridylidene]methyl-oxo-ammonium dibromide CAS Name: [1-[3-(3-methylsulfonyl-1-pyridin-1-iumyl)propyl]-4-pyridinylidene]methyl-oxoammonium dibromide IUPAC Name: [1-[3-(3-methylsulfonylpyridin-1-ium-1-yl)propyl]pyridin-4-ylidene]methyl-oxoazanium dibromide Traditional Name: keto-[[1-[3-(3-mesylpyridin-1-ium-1-yl)propyl]-4-pyridylidene]methyl]ammonium dibromide Formula: C15H19Br2N3O3S MolecularWeight: 481.20266

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18N3O3S.2BrH/c1-22(20,21)15-4-2-7-18(13-15)9-3-8-17-10-5-14(6-11-17)12-16-19;;/h2,4-7,10-13H,3,8-9H2,1H3;2*1H/q+1;;/p-1