4-[(S)-4,5-dihydro-1H-imidazol-3-ium-2-yl(oxidanyl)methyl]benzene-1,2-diol chloride

Systemtic Name: 4-[(S)-4,5-dihydro-1H-imidazol-3-ium-2-yl(oxidanyl)methyl]benzene-1,2-diol chloride Openeye Name: 4-[(S)-4,5-dihydro-1H-imidazol-3-ium-2-yl(hydroxy)methyl]benzene-1,2-diol chloride CAS Name: 4-[(S)-4,5-dihydro-1H-imidazol-3-ium-2-yl(hydroxy)methyl]benzene-1,2-diol chloride IUPAC Name: 4-[(S)-4,5-dihydro-1H-imidazol-3-ium-2-yl(hydroxy)methyl]benzene-1,2-diol chloride Traditional Name: 4-[(S)-hydroxy(2-imidazolin-1-ium-2-yl)methyl]pyrocatechol chloride Formula: C10H13ClN2O3 MolecularWeight: 244.67482

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+]=C(N1)C(C2=CC(=C(C=C2)O)O)O.[Cl-]

Isomeric SMILES

C1C[NH+]=C(N1)[C@H](C2=CC(=C(C=C2)O)O)O.[Cl-]

InChI

InChI=1S/C10H12N2O3.ClH/c13-7-2-1-6(5-8(7)14)9(15)10-11-3-4-12-10;/h1-2,5,9,13-15H,3-4H2,(H,11,12);1H/t9-;/m0./s1