2,5-bis(chloranyl)-3-(1H-imidazol-3-ium-3-yl)-4,4-dimethoxy-5-prop-2-enyl-cyclopent-2-en-1-one chloride

Systemtic Name: 2,5-bis(chloranyl)-3-(1H-imidazol-3-ium-3-yl)-4,4-dimethoxy-5-prop-2-enyl-cyclopent-2-en-1-one chloride Openeye Name: 5-allyl-2,5-dichloro-3-(1H-imidazol-3-ium-3-yl)-4,4-dimethoxy-cyclopent-2-en-1-one chloride CAS Name: 2,5-dichloro-3-(1H-imidazol-3-ium-3-yl)-4,4-dimethoxy-5-prop-2-enyl-1-cyclopent-2-enone chloride IUPAC Name: 2,5-dichloro-3-(1H-imidazol-3-ium-3-yl)-4,4-dimethoxy-5-prop-2-enylcyclopent-2-en-1-one chloride Traditional Name: 5-allyl-2,5-dichloro-3-(1H-imidazol-3-ium-3-yl)-4,4-dimethoxy-cyclopent-2-en-1-one chloride Formula: C13H15Cl3N2O3 MolecularWeight: 353.6288

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Descriptors Computed from Structure

Canonical SMILES:

COC1(C(=C(C(=O)C1(CC=C)Cl)Cl)[N+]2=CNC=C2)OC.[Cl-]

Isomeric SMILES

COC1(C(=C(C(=O)C1(CC=C)Cl)Cl)[N+]2=CNC=C2)OC.[Cl-]

InChI

InChI=1S/C13H14Cl2N2O3.ClH/c1-4-5-12(15)11(18)9(14)10(13(12,19-2)20-3)17-7-6-16-8-17;/h4,6-8H,1,5H2,2-3H3;1H