[2-[bis(chloranyl)amino]-2-methyl-propyl] 1-methylpyridin-1-ium-3-carboxylate; methyl sulfate

Systemtic Name: [2-[bis(chloranyl)amino]-2-methyl-propyl] 1-methylpyridin-1-ium-3-carboxylate; methyl sulfate Openeye Name: [2-(dichloroamino)-2-methyl-propyl] 1-methylpyridin-1-ium-3-carboxylate; methyl sulfate CAS Name: 1-methyl-3-pyridin-1-iumcarboxylic acid [2-(dichloroamino)-2-methylpropyl] ester; methyl sulfate IUPAC Name: [2-(dichloroamino)-2-methylpropyl] 1-methylpyridin-1-ium-3-carboxylate; methyl sulfate Traditional Name: 1-methylpyridin-1-ium-3-carboxylic acid [2-(dichloroamino)-2-methyl-propyl] ester; methyl sulfate Formula: C12H18Cl2N2O6S MolecularWeight: 389.25212

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(COC(=O)C1=C[N+](=CC=C1)C)N(Cl)Cl.COS(=O)(=O)[O-]

Isomeric SMILES

CC(C)(COC(=O)C1=C[N+](=CC=C1)C)N(Cl)Cl.COS(=O)(=O)[O-]

InChI

InChI=1S/C11H15Cl2N2O2.CH4O4S/c1-11(2,15(12)13)8-17-10(16)9-5-4-6-14(3)7-9;1-5-6(2,3)4/h4-7H,8H2,1-3H3;1H3,(H,2,3,4)/q+1;/p-1