2-[(E)-6-azanyl-2-methylidene-6-oxidanylidene-hex-4-enoyl]oxyethyl-trimethyl-azanium; methyl sulfate

Systemtic Name: 2-[(E)-6-azanyl-2-methylidene-6-oxidanylidene-hex-4-enoyl]oxyethyl-trimethyl-azanium; methyl sulfate Openeye Name: 2-[(E)-6-amino-2-methylene-6-oxo-hex-4-enoyl]oxyethyl-trimethyl-ammonium; methyl sulfate CAS Name: 2-[(E)-6-amino-2-methylene-1,6-dioxohex-4-enoxy]ethyl-trimethylammonium; methyl sulfate IUPAC Name: 2-[(E)-6-amino-2-methylidene-6-oxohex-4-enoyl]oxyethyl-trimethylazanium; methyl sulfate Traditional Name: 2-[(E)-6-amino-6-keto-2-methylene-hex-4-enoyl]oxyethyl-trimethyl-ammonium; methyl sulfate Formula: C13H24N2O7S MolecularWeight: 352.40386

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CCOC(=O)C(=C)CC=CC(=O)N.COS(=O)(=O)[O-]

Isomeric SMILES

C[N+](C)(C)CCOC(=O)C(=C)C/C=C/C(=O)N.COS(=O)(=O)[O-]

InChI

InChI=1S/C12H20N2O3.CH4O4S/c1-10(6-5-7-11(13)15)12(16)17-9-8-14(2,3)4;1-5-6(2,3)4/h5,7H,1,6,8-9H2,2-4H3,(H-,13,15);1H3,(H,2,3,4)/b7-5+;