[(E)-5-azanyl-4-methyl-5-oxidanylidene-pent-3-en-2-yl]-tert-butyl-azanium; ethyl sulfate

Systemtic Name: [(E)-5-azanyl-4-methyl-5-oxidanylidene-pent-3-en-2-yl]-tert-butyl-azanium; ethyl sulfate Openeye Name: [(E)-4-amino-1,3-dimethyl-4-oxo-but-2-enyl]-tert-butyl-ammonium; ethyl sulfate CAS Name: [(E)-5-amino-4-methyl-5-oxopent-3-en-2-yl]-tert-butylammonium; ethyl sulfate IUPAC Name: [(E)-5-amino-4-methyl-5-oxopent-3-en-2-yl]-tert-butylazanium; ethyl sulfate Traditional Name: [(E)-4-amino-4-keto-1,3-dimethyl-but-2-enyl]-tert-butyl-ammonium; ethyl sulfate Formula: C12H26N2O5S MolecularWeight: 310.41024

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Descriptors Computed from Structure

Canonical SMILES:

CCOS(=O)(=O)[O-].CC(C=C(C)C(=O)N)[NH2+]C(C)(C)C

Isomeric SMILES

CCOS(=O)(=O)[O-].CC(/C=C(\C)/C(=O)N)[NH2+]C(C)(C)C

InChI

InChI=1S/C10H20N2O.C2H6O4S/c1-7(9(11)13)6-8(2)12-10(3,4)5;1-2-6-7(3,4)5/h6,8,12H,1-5H3,(H2,11,13);2H2,1H3,(H,3,4,5)/b7-6+;