[2-azanylethylsulfanyl(butylamino)methylidene]-butyl-azanium sulfate

Systemtic Name: [2-azanylethylsulfanyl(butylamino)methylidene]-butyl-azanium sulfate Openeye Name: [2-aminoethylsulfanyl(butylamino)methylene]-butyl-ammonium sulfate CAS Name: [(2-aminoethylthio)-(butylamino)methylidene]-butylammonium sulfate IUPAC Name: [2-aminoethylsulfanyl(butylamino)methylidene]-butylazanium sulfate Traditional Name: [(2-aminoethylthio)-(butylamino)methylene]-butyl-ammonium sulfate Formula: C22H52N6O4S3 MolecularWeight: 560.88108

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=[NH+]CCCC)SCCN.CCCCNC(=[NH+]CCCC)SCCN.[O-]S(=O)(=O)[O-]

Isomeric SMILES

CCCCNC(=[NH+]CCCC)SCCN.CCCCNC(=[NH+]CCCC)SCCN.[O-]S(=O)(=O)[O-]

InChI

InChI=1S/2C11H25N3S.H2O4S/c2*1-3-5-8-13-11(15-10-7-12)14-9-6-4-2;1-5(2,3)4/h2*3-10,12H2,1-2H3,(H,13,14);(H2,1,2,3,4)