[(E)-1-azanyl-2-methyl-1-oxidanylidene-hept-2-en-4-yl]-trimethyl-azanium; methyl sulfate

Systemtic Name: [(E)-1-azanyl-2-methyl-1-oxidanylidene-hept-2-en-4-yl]-trimethyl-azanium; methyl sulfate Openeye Name: [(E)-4-amino-3-methyl-4-oxo-1-propyl-but-2-enyl]-trimethyl-ammonium; methyl sulfate CAS Name: [(E)-1-amino-2-methyl-1-oxohept-2-en-4-yl]-trimethylammonium; methyl sulfate IUPAC Name: [(E)-1-amino-2-methyl-1-oxohept-2-en-4-yl]-trimethylazanium; methyl sulfate Traditional Name: [(E)-4-amino-4-keto-3-methyl-1-propyl-but-2-enyl]-trimethyl-ammonium; methyl sulfate Formula: C12H26N2O5S MolecularWeight: 310.41024

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H22N2O.CH4O4S/c1-6-7-10(13(3,4)5)8-9(2)11(12)14;1-5-6(2,3)4/h8,10H,6-7H2,1-5H3,(H-,12,14);1H3,(H,2,3,4)/b9-8+;