3-chloranyl-4-[(4S,5R)-5-(2-chloranyl-4-oxidanyl-phenyl)-1,3-dimethyl-4,5-dihydroimidazol-1-ium-4-yl]phenol bromide

Systemtic Name: 3-chloranyl-4-[(4S,5R)-5-(2-chloranyl-4-oxidanyl-phenyl)-1,3-dimethyl-4,5-dihydroimidazol-1-ium-4-yl]phenol bromide Openeye Name: 3-chloro-4-[(4S,5R)-5-(2-chloro-4-hydroxy-phenyl)-1,3-dimethyl-4,5-dihydroimidazol-1-ium-4-yl]phenol bromide CAS Name: 3-chloro-4-[(4S,5R)-5-(2-chloro-4-hydroxyphenyl)-1,3-dimethyl-4,5-dihydroimidazol-1-ium-4-yl]phenol bromide IUPAC Name: 3-chloro-4-[(4S,5R)-5-(2-chloro-4-hydroxyphenyl)-1,3-dimethyl-4,5-dihydroimidazol-1-ium-4-yl]phenol bromide Traditional Name: 3-chloro-4-[(4S,5R)-5-(2-chloro-4-hydroxy-phenyl)-1,3-dimethyl-2-imidazolin-1-ium-4-yl]phenol bromide Formula: C17H17BrCl2N2O2 MolecularWeight: 432.13908

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=[N+](C(C1C2=C(C=C(C=C2)O)Cl)C3=C(C=C(C=C3)O)Cl)C.[Br-]

Isomeric SMILES

CN1C=[N+]([C@@H]([C@@H]1C2=C(C=C(C=C2)O)Cl)C3=C(C=C(C=C3)O)Cl)C.[Br-]

InChI

InChI=1S/C17H16Cl2N2O2.BrH/c1-20-9-21(2)17(13-6-4-11(23)8-15(13)19)16(20)12-5-3-10(22)7-14(12)18;/h3-9,16-17H,1-2H3,(H-,22,23);1H/t16-,17+;