[4-azaniumyl-2-(2-hydroxyethyl)-3-methyl-phenyl]azanium sulfate hydrate

Systemtic Name: [4-azaniumyl-2-(2-hydroxyethyl)-3-methyl-phenyl]azanium sulfate hydrate Openeye Name: [4-azaniumyl-2-(2-hydroxyethyl)-3-methyl-phenyl]ammonium sulfate hydrate CAS Name: [4-ammonio-2-(2-hydroxyethyl)-3-methylphenyl]ammonium sulfate hydrate IUPAC Name: [4-azaniumyl-2-(2-hydroxyethyl)-3-methylphenyl]azanium sulfate hydrate Traditional Name: [4-ammonio-2-(2-hydroxyethyl)-3-methyl-phenyl]ammonium sulfate hydrate Formula: C9H18N2O6S MolecularWeight: 282.31402

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1CCO)[NH3+])[NH3+].O.[O-]S(=O)(=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1CCO)[NH3+])[NH3+].O.[O-]S(=O)(=O)[O-]

InChI

InChI=1S/C9H14N2O.H2O4S.H2O/c1-6-7(4-5-12)9(11)3-2-8(6)10;1-5(2,3)4;/h2-3,12H,4-5,10-11H2,1H3;(H2,1,2,3,4);1H2