diethyl 1-(2-chloroethyl)pyridin-1-ium-3,5-dicarboxylate

Systemtic Name: diethyl 1-(2-chloroethyl)pyridin-1-ium-3,5-dicarboxylate Openeye Name: diethyl 1-(2-chloroethyl)pyridin-1-ium-3,5-dicarboxylate CAS Name: 1-(2-chloroethyl)pyridin-1-ium-3,5-dicarboxylic acid diethyl ester IUPAC Name: diethyl 1-(2-chloroethyl)pyridin-1-ium-3,5-dicarboxylate Traditional Name: 1-(2-chloroethyl)pyridin-1-ium-3,5-dicarboxylic acid diethyl ester Formula: C13H17ClNO4+ MolecularWeight: 286.73138

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C[N+](=C1)CCCl)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1=CC(=C[N+](=C1)CCCl)C(=O)OCC

InChI

InChI=1S/C13H17ClNO4/c1-3-18-12(16)10-7-11(13(17)19-4-2)9-15(8-10)6-5-14/h7-9H,3-6H2,1-2H3/q+1