2-[2-(3,4-dimethoxyphenyl)ethyl]guanidine sulfate

Systemtic Name: 2-[2-(3,4-dimethoxyphenyl)ethyl]guanidine sulfate Openeye Name: 2-[2-(3,4-dimethoxyphenyl)ethyl]guanidine sulfate CAS Name: 2-[2-(3,4-dimethoxyphenyl)ethyl]guanidine sulfate IUPAC Name: 2-[2-(3,4-dimethoxyphenyl)ethyl]guanidine sulfate Traditional Name: 2-homoveratrylguanidine sulfate Formula: C22H34N6O8S-2 MolecularWeight: 542.60576

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCN=C(N)N)OC.COC1=C(C=C(C=C1)CCN=C(N)N)OC.[O-]S(=O)(=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)CCN=C(N)N)OC.COC1=C(C=C(C=C1)CCN=C(N)N)OC.[O-]S(=O)(=O)[O-]

InChI

InChI=1S/2C11H17N3O2.H2O4S/c2*1-15-9-4-3-8(7-10(9)16-2)5-6-14-11(12)13;1-5(2,3)4/h2*3-4,7H,5-6H2,1-2H3,(H4,12,13,14);(H2,1,2,3,4)/p-2