1-(2,3-dimethylbenzimidazol-3-ium-1-yl)-3-(2-methylphenoxy)propan-2-ol iodide

Systemtic Name: 1-(2,3-dimethylbenzimidazol-3-ium-1-yl)-3-(2-methylphenoxy)propan-2-ol iodide Openeye Name: 1-(2,3-dimethylbenzimidazol-3-ium-1-yl)-3-(2-methylphenoxy)propan-2-ol iodide CAS Name: 1-(2,3-dimethyl-1-benzimidazol-3-iumyl)-3-(2-methylphenoxy)-2-propanol iodide IUPAC Name: 1-(2,3-dimethylbenzimidazol-3-ium-1-yl)-3-(2-methylphenoxy)propan-2-ol iodide Traditional Name: 1-(2,3-dimethylbenzimidazol-3-ium-1-yl)-3-(2-methylphenoxy)propan-2-ol iodide Formula: C19H23IN2O2 MolecularWeight: 438.30259

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OCC(CN2C(=[N+](C3=CC=CC=C32)C)C)O.[I-]

Isomeric SMILES

CC1=CC=CC=C1OCC(CN2C(=[N+](C3=CC=CC=C32)C)C)O.[I-]

InChI

InChI=1S/C19H23N2O2.HI/c1-14-8-4-7-11-19(14)23-13-16(22)12-21-15(2)20(3)17-9-5-6-10-18(17)21;/h4-11,16,22H,12-13H2,1-3H3;1H/q+1;/p-1