[azanyl(2-azanylethylsulfanyl)methylidene]-(3-methylphenyl)azanium sulfate

Systemtic Name: [azanyl(2-azanylethylsulfanyl)methylidene]-(3-methylphenyl)azanium sulfate Openeye Name: [amino(2-aminoethylsulfanyl)methylene]-(m-tolyl)ammonium sulfate CAS Name: [amino-(2-aminoethylthio)methylidene]-(3-methylphenyl)ammonium sulfate IUPAC Name: [amino(2-aminoethylsulfanyl)methylidene]-(3-methylphenyl)azanium sulfate Traditional Name: [amino-(2-aminoethylthio)methylene]-(m-tolyl)ammonium sulfate Formula: C20H32N6O4S3 MolecularWeight: 516.70088

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)[NH+]=C(N)SCCN.CC1=CC(=CC=C1)[NH+]=C(N)SCCN.[O-]S(=O)(=O)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)[NH+]=C(N)SCCN.CC1=CC(=CC=C1)[NH+]=C(N)SCCN.[O-]S(=O)(=O)[O-]

InChI

InChI=1S/2C10H15N3S.H2O4S/c2*1-8-3-2-4-9(7-8)13-10(12)14-6-5-11;1-5(2,3)4/h2*2-4,7H,5-6,11H2,1H3,(H2,12,13);(H2,1,2,3,4)