[azanyl(1-azanylethylsulfanyl)methylidene]-ethyl-azanium diethanoate

Systemtic Name: [azanyl(1-azanylethylsulfanyl)methylidene]-ethyl-azanium diethanoate Openeye Name: [amino(1-aminoethylsulfanyl)methylene]-ethyl-ammonium diacetate CAS Name: [amino-(1-aminoethylthio)methylidene]-ethylammonium diacetate IUPAC Name: [amino(1-aminoethylsulfanyl)methylidene]-ethylazanium diacetate Traditional Name: [amino-(1-aminoethylthio)methylene]-ethyl-ammonium diacetate Formula: C14H34N6O4S2 MolecularWeight: 414.58756

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]=C(N)SC(C)N.CC[NH+]=C(N)SC(C)N.CC(=O)[O-].CC(=O)[O-]

Isomeric SMILES

CC[NH+]=C(N)SC(C)N.CC[NH+]=C(N)SC(C)N.CC(=O)[O-].CC(=O)[O-]

InChI

InChI=1S/2C5H13N3S.2C2H4O2/c2*1-3-8-5(7)9-4(2)6;2*1-2(3)4/h2*4H,3,6H2,1-2H3,(H2,7,8);2*1H3,(H,3,4)