5-[2-(3-methylimidazol-3-ium-1-yl)ethylamino]benzene-1,2,4-triol

Systemtic Name: 5-[2-(3-methylimidazol-3-ium-1-yl)ethylamino]benzene-1,2,4-triol Openeye Name: 5-[2-(3-methylimidazol-3-ium-1-yl)ethylamino]benzene-1,2,4-triol CAS Name: 5-[2-(3-methyl-1-imidazol-3-iumyl)ethylamino]benzene-1,2,4-triol IUPAC Name: 5-[2-(3-methylimidazol-3-ium-1-yl)ethylamino]benzene-1,2,4-triol Traditional Name: 5-[2-(3-methylimidazol-3-ium-1-yl)ethylamino]benzene-1,2,4-triol Formula: C12H16N3O3+ MolecularWeight: 250.27374

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CN(C=C1)CCNC2=CC(=C(C=C2O)O)O

Isomeric SMILES

C[N+]1=CN(C=C1)CCNC2=CC(=C(C=C2O)O)O

InChI

InChI=1S/C12H15N3O3/c1-14-4-5-15(8-14)3-2-13-9-6-11(17)12(18)7-10(9)16/h4-8,13H,2-3H2,1H3,(H2-,16,17,18)/p+1