2-[2-(1,3-benzodioxol-5-yl)-2-oxidanyl-ethyl]guanidine sulfate

Systemtic Name: 2-[2-(1,3-benzodioxol-5-yl)-2-oxidanyl-ethyl]guanidine sulfate Openeye Name: 2-[2-(1,3-benzodioxol-5-yl)-2-hydroxy-ethyl]guanidine sulfate CAS Name: 2-[2-(1,3-benzodioxol-5-yl)-2-hydroxyethyl]guanidine sulfate IUPAC Name: 2-[2-(1,3-benzodioxol-5-yl)-2-hydroxyethyl]guanidine sulfate Traditional Name: 2-[2-(1,3-benzodioxol-5-yl)-2-hydroxy-ethyl]guanidine sulfate Formula: C20H26N6O10S-2 MolecularWeight: 542.51964

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(CN=C(N)N)O.C1OC2=C(O1)C=C(C=C2)C(CN=C(N)N)O.[O-]S(=O)(=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(CN=C(N)N)O.C1OC2=C(O1)C=C(C=C2)C(CN=C(N)N)O.[O-]S(=O)(=O)[O-]

InChI

InChI=1S/2C10H13N3O3.H2O4S/c2*11-10(12)13-4-7(14)6-1-2-8-9(3-6)16-5-15-8;1-5(2,3)4/h2*1-3,7,14H,4-5H2,(H4,11,12,13);(H2,1,2,3,4)/p-2