[2-azanylethylsulfanyl-(propan-2-ylamino)methylidene]-propan-2-yl-azanium sulfate

Systemtic Name: [2-azanylethylsulfanyl-(propan-2-ylamino)methylidene]-propan-2-yl-azanium sulfate Openeye Name: [2-aminoethylsulfanyl-(isopropylamino)methylene]-isopropyl-ammonium sulfate CAS Name: [(2-aminoethylthio)-(propan-2-ylamino)methylidene]-propan-2-ylammonium sulfate IUPAC Name: [2-aminoethylsulfanyl-(propan-2-ylamino)methylidene]-propan-2-ylazanium sulfate Traditional Name: [(2-aminoethylthio)-(isopropylamino)methylene]-isopropyl-ammonium sulfate Formula: C18H44N6O4S3 MolecularWeight: 504.77476

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C9H21N3S.H2O4S/c2*1-7(2)11-9(12-8(3)4)13-6-5-10;1-5(2,3)4/h2*7-8H,5-6,10H2,1-4H3,(H,11,12);(H2,1,2,3,4)