sodium trimethyl-[1-[[(E)-2-methylidene-5-oxidanyl-5-oxidanylidene-pent-3-enoyl]amino]propyl]azanium dichloride

Systemtic Name: sodium trimethyl-[1-[[(E)-2-methylidene-5-oxidanyl-5-oxidanylidene-pent-3-enoyl]amino]propyl]azanium dichloride Openeye Name: sodium 1-[[(E)-5-hydroxy-2-methylene-5-oxo-pent-3-enoyl]amino]propyl-trimethyl-ammonium dichloride CAS Name: sodium 1-[[(E)-5-hydroxy-2-methylene-1,5-dioxopent-3-enyl]amino]propyl-trimethylammonium dichloride IUPAC Name: sodium 1-[[(E)-5-hydroxy-2-methylidene-5-oxopent-3-enoyl]amino]propyl-trimethylazanium dichloride Traditional Name: sodium 1-[[(E)-5-hydroxy-5-keto-2-methylene-pent-3-enoyl]amino]propyl-trimethyl-ammonium dichloride Formula: C12H21Cl2N2NaO3 MolecularWeight: 335.20251

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Descriptors Computed from Structure

Canonical SMILES:

CCC(NC(=O)C(=C)C=CC(=O)O)[N+](C)(C)C.[Na+].[Cl-].[Cl-]

Isomeric SMILES

CCC(NC(=O)C(=C)/C=C/C(=O)O)[N+](C)(C)C.[Na+].[Cl-].[Cl-]

InChI

InChI=1S/C12H20N2O3.2ClH.Na/c1-6-10(14(3,4)5)13-12(17)9(2)7-8-11(15)16;;;/h7-8,10H,2,6H2,1,3-5H3,(H-,13,15,16,17);2*1H;/q;;;+1/p-1/b8-7+;;;