methyl sulfate; (E)-2-methyl-4-(trimethylazaniumyl)pent-2-enoate

Systemtic Name: methyl sulfate; (E)-2-methyl-4-(trimethylazaniumyl)pent-2-enoate Openeye Name: methyl sulfate; (E)-2-methyl-4-(trimethylammonio)pent-2-enoate CAS Name: methyl sulfate; (E)-2-methyl-4-(trimethylammonio)-2-pentenoate IUPAC Name: methyl sulfate; (E)-2-methyl-4-(trimethylazaniumyl)pent-2-enoate Traditional Name: methyl sulfate; (E)-2-methyl-4-(trimethylammonio)pent-2-enoate Formula: C10H20NO6S- MolecularWeight: 282.3339

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H17NO2.CH4O4S/c1-7(9(11)12)6-8(2)10(3,4)5;1-5-6(2,3)4/h6,8H,1-5H3;1H3,(H,2,3,4)/p-1/b7-6+;