1-(2-chloranyl-5-methyl-phenoxy)-3-(3,5,6-trimethylbenzimidazol-3-ium-1-yl)propan-2-ol iodide

Systemtic Name: 1-(2-chloranyl-5-methyl-phenoxy)-3-(3,5,6-trimethylbenzimidazol-3-ium-1-yl)propan-2-ol iodide Openeye Name: 1-(2-chloro-5-methyl-phenoxy)-3-(3,5,6-trimethylbenzimidazol-3-ium-1-yl)propan-2-ol iodide CAS Name: 1-(2-chloro-5-methylphenoxy)-3-(3,5,6-trimethyl-1-benzimidazol-3-iumyl)-2-propanol iodide IUPAC Name: 1-(2-chloro-5-methylphenoxy)-3-(3,5,6-trimethylbenzimidazol-3-ium-1-yl)propan-2-ol iodide Traditional Name: 1-(2-chloro-5-methyl-phenoxy)-3-(3,5,6-trimethylbenzimidazol-3-ium-1-yl)propan-2-ol iodide Formula: C20H24ClIN2O2 MolecularWeight: 486.77423

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)Cl)OCC(CN2C=[N+](C3=C2C=C(C(=C3)C)C)C)O.[I-]

Isomeric SMILES

CC1=CC(=C(C=C1)Cl)OCC(CN2C=[N+](C3=C2C=C(C(=C3)C)C)C)O.[I-]

InChI

InChI=1S/C20H24ClN2O2.HI/c1-13-5-6-17(21)20(7-13)25-11-16(24)10-23-12-22(4)18-8-14(2)15(3)9-19(18)23;/h5-9,12,16,24H,10-11H2,1-4H3;1H/q+1;/p-1