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

Systemtic Name: [azanyl(2-azanylethylsulfanyl)methylidene]-phenyl-azanium sulfate Openeye Name: [amino(2-aminoethylsulfanyl)methylene]-phenyl-ammonium sulfate CAS Name: [amino-(2-aminoethylthio)methylidene]-phenylammonium sulfate IUPAC Name: [amino(2-aminoethylsulfanyl)methylidene]-phenylazanium sulfate Traditional Name: [amino-(2-aminoethylthio)methylene]-phenyl-ammonium sulfate Formula: C18H28N6O4S3 MolecularWeight: 488.64772

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C9H13N3S.H2O4S/c2*10-6-7-13-9(11)12-8-4-2-1-3-5-8;1-5(2,3)4/h2*1-5H,6-7,10H2,(H2,11,12);(H2,1,2,3,4)