(2-azanyl-6-hexyl-4-thiomorpholin-4-yl-1H-1,2,3-triazin-1-ium-1-yl) hydrogen sulfate hydroxide

Systemtic Name: (2-azanyl-6-hexyl-4-thiomorpholin-4-yl-1H-1,2,3-triazin-1-ium-1-yl) hydrogen sulfate hydroxide Openeye Name: (2-amino-6-hexyl-4-thiomorpholino-1H-triazin-1-ium-1-yl) hydrogen sulfate hydroxide CAS Name: sulfuric acid (2-amino-6-hexyl-4-thiomorpholin-4-yl-1H-triazin-1-ium-1-yl) ester hydroxide IUPAC Name: (2-amino-6-hexyl-4-thiomorpholin-4-yl-1H-triazin-1-ium-1-yl) hydrogen sulfate hydroxide Traditional Name: sulfuric acid (2-amino-6-hexyl-4-thiomorpholino-1H-triazin-1-ium-1-yl) ester hydroxide Formula: C13H27N5O5S2 MolecularWeight: 397.51398

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC(=NN([NH+]1OS(=O)(=O)O)N)N2CCSCC2.[OH-]

Isomeric SMILES

CCCCCCC1=CC(=NN([NH+]1OS(=O)(=O)O)N)N2CCSCC2.[OH-]

InChI

InChI=1S/C13H25N5O4S2.H2O/c1-2-3-4-5-6-12-11-13(16-7-9-23-10-8-16)15-18(14)17(12)22-24(19,20)21;/h11H,2-10,14H2,1H3,(H,19,20,21);1H2