(E)-3-phenylprop-2-enal; trimethylazanium; sulfate

Systemtic Name: (E)-3-phenylprop-2-enal; trimethylazanium; sulfate Openeye Name: (E)-3-phenylprop-2-enal; trimethylammonium; sulfate CAS Name: (E)-3-phenyl-2-propenal; trimethylammonium; sulfate IUPAC Name: (E)-3-phenylprop-2-enal; trimethylazanium; sulfate Traditional Name: (E)-3-phenylacrolein; trimethylammonium; sulfate Formula: C15H28N2O5S MolecularWeight: 348.45822

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C.C[NH+](C)C.C1=CC=C(C=C1)C=CC=O.[O-]S(=O)(=O)[O-]

Isomeric SMILES

C[NH+](C)C.C[NH+](C)C.C1=CC=C(C=C1)/C=C/C=O.[O-]S(=O)(=O)[O-]

InChI

InChI=1S/C9H8O.2C3H9N.H2O4S/c10-8-4-7-9-5-2-1-3-6-9;2*1-4(2)3;1-5(2,3)4/h1-8H;2*1-3H3;(H2,1,2,3,4)/b7-4+;;;