methyl-[3-(2-phosphonatosulfanylethylazaniumyl)propyl]azanium hydrate

Systemtic Name: methyl-[3-(2-phosphonatosulfanylethylazaniumyl)propyl]azanium hydrate Openeye Name: methyl-[3-(2-phosphonatosulfanylethylammonio)propyl]ammonium hydrate CAS Name: methyl-[3-[2-(phosphonatothio)ethylammonio]propyl]ammonium hydrate IUPAC Name: methyl-[3-(2-phosphonatosulfanylethylazaniumyl)propyl]azanium hydrate Traditional Name: methyl-[3-[2-(phosphonatothio)ethylammonio]propyl]ammonium hydrate Formula: C6H19N2O4PS MolecularWeight: 246.264821

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Descriptors Computed from Structure

Canonical SMILES:

C[NH2+]CCC[NH2+]CCSP(=O)([O-])[O-].O

Isomeric SMILES

C[NH2+]CCC[NH2+]CCSP(=O)([O-])[O-].O

InChI

InChI=1S/C6H17N2O3PS.H2O/c1-7-3-2-4-8-5-6-13-12(9,10)11;/h7-8H,2-6H2,1H3,(H2,9,10,11);1H2