3-chloranyl-1-methyl-pyrrol-1-ium-2,5-dione; propanoate; chloride

Systemtic Name: 3-chloranyl-1-methyl-pyrrol-1-ium-2,5-dione; propanoate; chloride Openeye Name: 3-chloro-1-methyl-pyrrol-1-ium-2,5-dione; propanoate; chloride CAS Name: 3-chloro-1-methylpyrrol-1-ium-2,5-dione; propanoate; chloride IUPAC Name: 3-chloro-1-methylpyrrol-1-ium-2,5-dione; propanoate; chloride Traditional Name: 3-chloro-1-methyl-3-pyrrolin-1-ium-2,5-quinone; propionate; chloride Formula: C8H10Cl2NO4- MolecularWeight: 255.0753

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C5H4ClNO2.C3H6O2.ClH/c1-7-4(8)2-3(6)5(7)9;1-2-3(4)5;/h2H,1H3;2H2,1H3,(H,4,5);1H/p-1