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

Systemtic Name: 3-chloranyl-1-methyl-pyrrol-1-ium-2,5-dione; 2-phenylpropanoate; chloride Openeye Name: 3-chloro-1-methyl-pyrrol-1-ium-2,5-dione; 2-phenylpropanoate; chloride CAS Name: 3-chloro-1-methylpyrrol-1-ium-2,5-dione; 2-phenylpropanoate; chloride IUPAC Name: 3-chloro-1-methylpyrrol-1-ium-2,5-dione; 2-phenylpropanoate; chloride Traditional Name: 3-chloro-1-methyl-3-pyrrolin-1-ium-2,5-quinone; 2-phenylpropionate; chloride Formula: C14H14Cl2NO4- MolecularWeight: 331.17126

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H10O2.C5H4ClNO2.ClH/c1-7(9(10)11)8-5-3-2-4-6-8;1-7-4(8)2-3(6)5(7)9;/h2-7H,1H3,(H,10,11);2H,1H3;1H/p-1