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

Systemtic Name: 1-(2-chloranyl-5-methyl-phenoxy)-3-(2,3-dimethylbenzimidazol-3-ium-1-yl)propan-2-ol iodide Openeye Name: 1-(2-chloro-5-methyl-phenoxy)-3-(2,3-dimethylbenzimidazol-3-ium-1-yl)propan-2-ol iodide CAS Name: 1-(2-chloro-5-methylphenoxy)-3-(2,3-dimethyl-1-benzimidazol-3-iumyl)-2-propanol iodide IUPAC Name: 1-(2-chloro-5-methylphenoxy)-3-(2,3-dimethylbenzimidazol-3-ium-1-yl)propan-2-ol iodide Traditional Name: 1-(2-chloro-5-methyl-phenoxy)-3-(2,3-dimethylbenzimidazol-3-ium-1-yl)propan-2-ol iodide Formula: C19H22ClIN2O2 MolecularWeight: 472.74765

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)Cl)OCC(CN2C(=[N+](C3=CC=CC=C32)C)C)O.[I-]

Isomeric SMILES

CC1=CC(=C(C=C1)Cl)OCC(CN2C(=[N+](C3=CC=CC=C32)C)C)O.[I-]

InChI

InChI=1S/C19H22ClN2O2.HI/c1-13-8-9-16(20)19(10-13)24-12-15(23)11-22-14(2)21(3)17-6-4-5-7-18(17)22;/h4-10,15,23H,11-12H2,1-3H3;1H/q+1;/p-1