[azanyl(1-azanylbutylsulfanyl)methylidene]-phenyl-azanium sulfate

Systemtic Name: [azanyl(1-azanylbutylsulfanyl)methylidene]-phenyl-azanium sulfate Openeye Name: [amino(1-aminobutylsulfanyl)methylene]-phenyl-ammonium sulfate CAS Name: [amino-(1-aminobutylthio)methylidene]-phenylammonium sulfate IUPAC Name: [amino(1-aminobutylsulfanyl)methylidene]-phenylazanium sulfate Traditional Name: [amino-(1-aminobutylthio)methylene]-phenyl-ammonium sulfate Formula: C22H36N6O4S3 MolecularWeight: 544.75404

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(N)SC(=[NH+]C1=CC=CC=C1)N.CCCC(N)SC(=[NH+]C1=CC=CC=C1)N.[O-]S(=O)(=O)[O-]

Isomeric SMILES

CCCC(N)SC(=[NH+]C1=CC=CC=C1)N.CCCC(N)SC(=[NH+]C1=CC=CC=C1)N.[O-]S(=O)(=O)[O-]

InChI

InChI=1S/2C11H17N3S.H2O4S/c2*1-2-6-10(12)15-11(13)14-9-7-4-3-5-8-9;1-5(2,3)4/h2*3-5,7-8,10H,2,6,12H2,1H3,(H2,13,14);(H2,1,2,3,4)