(3-azaniumyl-4-methoxy-phenyl)-(2-hydroxyethyl)azanium sulfate

Systemtic Name: (3-azaniumyl-4-methoxy-phenyl)-(2-hydroxyethyl)azanium sulfate Openeye Name: (3-azaniumyl-4-methoxy-phenyl)-(2-hydroxyethyl)ammonium sulfate CAS Name: (3-ammonio-4-methoxyphenyl)-(2-hydroxyethyl)ammonium sulfate IUPAC Name: (3-azaniumyl-4-methoxyphenyl)-(2-hydroxyethyl)azanium sulfate Traditional Name: (3-ammonio-4-methoxy-phenyl)-(2-hydroxyethyl)ammonium sulfate Formula: C9H16N2O6S MolecularWeight: 280.29814

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[NH2+]CCO)[NH3+].[O-]S(=O)(=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)[NH2+]CCO)[NH3+].[O-]S(=O)(=O)[O-]

InChI

InChI=1S/C9H14N2O2.H2O4S/c1-13-9-3-2-7(6-8(9)10)11-4-5-12;1-5(2,3)4/h2-3,6,11-12H,4-5,10H2,1H3;(H2,1,2,3,4)