butyl 1-methylpyridin-1-ium-3-carboxylate; methyl sulfate

Systemtic Name: butyl 1-methylpyridin-1-ium-3-carboxylate; methyl sulfate Openeye Name: butyl 1-methylpyridin-1-ium-3-carboxylate; methyl sulfate CAS Name: 1-methyl-3-pyridin-1-iumcarboxylic acid butyl ester; methyl sulfate IUPAC Name: butyl 1-methylpyridin-1-ium-3-carboxylate; methyl sulfate Traditional Name: 1-methylpyridin-1-ium-3-carboxylic acid butyl ester; methyl sulfate Formula: C12H19NO6S MolecularWeight: 305.34736

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H16NO2.CH4O4S/c1-3-4-8-14-11(13)10-6-5-7-12(2)9-10;1-5-6(2,3)4/h5-7,9H,3-4,8H2,1-2H3;1H3,(H,2,3,4)/q+1;/p-1