3-chloranyl-1-ethyl-pyrrol-1-ium-2,5-dione chloride

Systemtic Name: 3-chloranyl-1-ethyl-pyrrol-1-ium-2,5-dione chloride Openeye Name: 3-chloro-1-ethyl-pyrrol-1-ium-2,5-dione chloride CAS Name: 3-chloro-1-ethylpyrrol-1-ium-2,5-dione chloride IUPAC Name: 3-chloro-1-ethylpyrrol-1-ium-2,5-dione chloride Traditional Name: 3-chloro-1-ethyl-3-pyrrolin-1-ium-2,5-quinone chloride Formula: C6H7Cl2NO2 MolecularWeight: 196.03128

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C6H6ClNO2.ClH/c1-2-8-5(9)3-4(7)6(8)10;/h3H,2H2,1H3;1H