3,5-bis(chloranyl)-1-methyl-pyridin-1-ium-2-amine; methyl sulfate

Systemtic Name: 3,5-bis(chloranyl)-1-methyl-pyridin-1-ium-2-amine; methyl sulfate Openeye Name: 3,5-dichloro-1-methyl-pyridin-1-ium-2-amine; methyl sulfate CAS Name: 3,5-dichloro-1-methyl-2-pyridin-1-iumamine; methyl sulfate IUPAC Name: 3,5-dichloro-1-methylpyridin-1-ium-2-amine; methyl sulfate Traditional Name: (3,5-dichloro-1-methyl-pyridin-1-ium-2-yl)amine; methyl sulfate Formula: C7H10Cl2N2O4S MolecularWeight: 289.1363

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC(=CC(=C1N)Cl)Cl.COS(=O)(=O)[O-]

Isomeric SMILES

C[N+]1=CC(=CC(=C1N)Cl)Cl.COS(=O)(=O)[O-]

InChI

InChI=1S/C6H6Cl2N2.CH4O4S/c1-10-3-4(7)2-5(8)6(10)9;1-5-6(2,3)4/h2-3,9H,1H3;1H3,(H,2,3,4)