sodium (Z)-4-oxidanylidene-4-[2-(trimethylazaniumyl)ethylamino]but-2-enoate chloride

Systemtic Name: sodium (Z)-4-oxidanylidene-4-[2-(trimethylazaniumyl)ethylamino]but-2-enoate chloride Openeye Name: sodium (Z)-4-oxo-4-[2-(trimethylammonio)ethylamino]but-2-enoate chloride CAS Name: sodium (Z)-4-oxo-4-[2-(trimethylammonio)ethylamino]-2-butenoate chloride IUPAC Name: sodium (Z)-4-oxo-4-[2-(trimethylazaniumyl)ethylamino]but-2-enoate chloride Traditional Name: sodium (Z)-4-keto-4-[2-(trimethylammonio)ethylamino]but-2-enoate chloride Formula: C9H16ClN2NaO3 MolecularWeight: 258.67771

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[N+](C)(C)CCNC(=O)/C=C\C(=O)[O-].[Na+].[Cl-]

InChI

InChI=1S/C9H16N2O3.ClH.Na/c1-11(2,3)7-6-10-8(12)4-5-9(13)14;;/h4-5H,6-7H2,1-3H3,(H-,10,12,13,14);1H;/q;;+1/p-1/b5-4-;;