[azanyl-[2-(butylamino)ethylsulfanyl]methylidene]-ethanoyl-azanium sulfate

Systemtic Name: [azanyl-[2-(butylamino)ethylsulfanyl]methylidene]-ethanoyl-azanium sulfate Openeye Name: acetyl-[amino-[2-(butylamino)ethylsulfanyl]methylene]ammonium sulfate CAS Name: acetyl-[amino-[2-(butylamino)ethylthio]methylidene]ammonium sulfate IUPAC Name: acetyl-[amino-[2-(butylamino)ethylsulfanyl]methylidene]azanium sulfate Traditional Name: acetyl-[amino-[2-(butylamino)ethylthio]methylene]ammonium sulfate Formula: C18H40N6O6S3 MolecularWeight: 532.7418

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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