[azanyl(sulfanyl)methylidene]-butan-2-yl-azanium; butyl phosphate

Systemtic Name: [azanyl(sulfanyl)methylidene]-butan-2-yl-azanium; butyl phosphate Openeye Name: [amino(sulfanyl)methylene]-sec-butyl-ammonium; butyl phosphate CAS Name: [amino(mercapto)methylidene]-butan-2-ylammonium; butyl phosphate IUPAC Name: [amino(sulfanyl)methylidene]-butan-2-ylazanium; butyl phosphate Traditional Name: [amino(mercapto)methylene]-sec-butyl-ammonium; butyl phosphate Formula: C14H35N4O4PS2 MolecularWeight: 418.555861

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOP(=O)([O-])[O-].CCC(C)[NH+]=C(N)S.CCC(C)[NH+]=C(N)S

Isomeric SMILES

CCCCOP(=O)([O-])[O-].CCC(C)[NH+]=C(N)S.CCC(C)[NH+]=C(N)S

InChI

InChI=1S/2C5H12N2S.C4H11O4P/c2*1-3-4(2)7-5(6)8;1-2-3-4-8-9(5,6)7/h2*4H,3H2,1-2H3,(H3,6,7,8);2-4H2,1H3,(H2,5,6,7)