diethyl 2-pyridin-1-ium-1-ylpropanedioate perchlorate

Systemtic Name: diethyl 2-pyridin-1-ium-1-ylpropanedioate perchlorate Openeye Name: diethyl 2-pyridin-1-ium-1-ylpropanedioate perchlorate CAS Name: 2-(1-pyridin-1-iumyl)propanedioic acid diethyl ester perchlorate IUPAC Name: diethyl 2-pyridin-1-ium-1-ylpropanedioate perchlorate Traditional Name: 2-pyridin-1-ium-1-ylmalonic acid diethyl ester perchlorate Formula: C12H16ClNO8 MolecularWeight: 337.71034

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16NO4.ClHO4/c1-3-16-11(14)10(12(15)17-4-2)13-8-6-5-7-9-13;2-1(3,4)5/h5-10H,3-4H2,1-2H3;(H,2,3,4,5)/q+1;/p-1