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

Systemtic Name: [azanyl(2-azanylethylsulfanyl)methylidene]-hexanoyl-azanium sulfate Openeye Name: [amino(2-aminoethylsulfanyl)methylene]-hexanoyl-ammonium sulfate CAS Name: [amino-(2-aminoethylthio)methylidene]-(1-oxohexyl)ammonium sulfate IUPAC Name: [amino(2-aminoethylsulfanyl)methylidene]-hexanoylazanium sulfate Traditional Name: [amino-(2-aminoethylthio)methylene]-caproyl-ammonium sulfate Formula: C18H40N6O6S3 MolecularWeight: 532.7418

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C9H19N3OS.H2O4S/c2*1-2-3-4-5-8(13)12-9(11)14-7-6-10;1-5(2,3)4/h2*2-7,10H2,1H3,(H2,11,12,13);(H2,1,2,3,4)