chloromethyl 1-methylpyridin-1-ium-3-carboxylate chloride

Systemtic Name: chloromethyl 1-methylpyridin-1-ium-3-carboxylate chloride Openeye Name: chloromethyl 1-methylpyridin-1-ium-3-carboxylate chloride CAS Name: 1-methyl-3-pyridin-1-iumcarboxylic acid chloromethyl ester chloride IUPAC Name: chloromethyl 1-methylpyridin-1-ium-3-carboxylate chloride Traditional Name: 1-methylpyridin-1-ium-3-carboxylic acid chloromethyl ester chloride Formula: C8H9Cl2NO2 MolecularWeight: 222.06856

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CC(=C1)C(=O)OCCl.[Cl-]

Isomeric SMILES

C[N+]1=CC=CC(=C1)C(=O)OCCl.[Cl-]

InChI

InChI=1S/C8H9ClNO2.ClH/c1-10-4-2-3-7(5-10)8(11)12-6-9;/h2-5H,6H2,1H3;1H/q+1;/p-1