[azanyl(2-azanylethylsulfanyl)methylidene]-heptanoyl-azanium sulfate

Systemtic Name: [azanyl(2-azanylethylsulfanyl)methylidene]-heptanoyl-azanium sulfate Openeye Name: [amino(2-aminoethylsulfanyl)methylene]-heptanoyl-ammonium sulfate CAS Name: [amino-(2-aminoethylthio)methylidene]-(1-oxoheptyl)ammonium sulfate IUPAC Name: [amino(2-aminoethylsulfanyl)methylidene]-heptanoylazanium sulfate Traditional Name: [amino-(2-aminoethylthio)methylene]-enanthyl-ammonium sulfate Formula: C20H44N6O6S3 MolecularWeight: 560.79496

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(=O)[NH+]=C(N)SCCN.CCCCCCC(=O)[NH+]=C(N)SCCN.[O-]S(=O)(=O)[O-]

Isomeric SMILES

CCCCCCC(=O)[NH+]=C(N)SCCN.CCCCCCC(=O)[NH+]=C(N)SCCN.[O-]S(=O)(=O)[O-]

InChI

InChI=1S/2C10H21N3OS.H2O4S/c2*1-2-3-4-5-6-9(14)13-10(12)15-8-7-11;1-5(2,3)4/h2*2-8,11H2,1H3,(H2,12,13,14);(H2,1,2,3,4)