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

Systemtic Name: 1-(2,3-dimethylbenzimidazol-3-ium-1-yl)-3-(3-ethyl-5-methyl-phenoxy)propan-2-ol iodide Openeye Name: 1-(2,3-dimethylbenzimidazol-3-ium-1-yl)-3-(3-ethyl-5-methyl-phenoxy)propan-2-ol iodide CAS Name: 1-(2,3-dimethyl-1-benzimidazol-3-iumyl)-3-(3-ethyl-5-methylphenoxy)-2-propanol iodide IUPAC Name: 1-(2,3-dimethylbenzimidazol-3-ium-1-yl)-3-(3-ethyl-5-methylphenoxy)propan-2-ol iodide Traditional Name: 1-(2,3-dimethylbenzimidazol-3-ium-1-yl)-3-(3-ethyl-5-methyl-phenoxy)propan-2-ol iodide Formula: C21H27IN2O2 MolecularWeight: 466.35575

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC(=C1)C)OCC(CN2C(=[N+](C3=CC=CC=C32)C)C)O.[I-]

Isomeric SMILES

CCC1=CC(=CC(=C1)C)OCC(CN2C(=[N+](C3=CC=CC=C32)C)C)O.[I-]

InChI

InChI=1S/C21H27N2O2.HI/c1-5-17-10-15(2)11-19(12-17)25-14-18(24)13-23-16(3)22(4)20-8-6-7-9-21(20)23;/h6-12,18,24H,5,13-14H2,1-4H3;1H/q+1;/p-1