4-(2-azanylethyl)benzene-1,2-diol; trimethylsulfanium; iodide

Systemtic Name: 4-(2-azanylethyl)benzene-1,2-diol; trimethylsulfanium; iodide Openeye Name: 4-(2-aminoethyl)benzene-1,2-diol; trimethylsulfonium; iodide CAS Name: 4-(2-aminoethyl)benzene-1,2-diol; trimethylsulfonium; iodide IUPAC Name: 4-(2-aminoethyl)benzene-1,2-diol; trimethylsulfanium; iodide Traditional Name: 4-(2-aminoethyl)pyrocatechol; trimethylsulfonium; iodide Formula: C11H20INO2S MolecularWeight: 357.25147

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Descriptors Computed from Structure

Canonical SMILES:

C[S+](C)C.C1=CC(=C(C=C1CCN)O)O.[I-]

Isomeric SMILES

C[S+](C)C.C1=CC(=C(C=C1CCN)O)O.[I-]

InChI

InChI=1S/C8H11NO2.C3H9S.HI/c9-4-3-6-1-2-7(10)8(11)5-6;1-4(2)3;/h1-2,5,10-11H,3-4,9H2;1-3H3;1H/q;+1;/p-1