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

Systemtic Name: 1-(3-methylbenzimidazol-3-ium-1-yl)-3-(3-methylphenoxy)propan-2-ol iodide Openeye Name: 1-(3-methylbenzimidazol-3-ium-1-yl)-3-(3-methylphenoxy)propan-2-ol iodide CAS Name: 1-(3-methyl-1-benzimidazol-3-iumyl)-3-(3-methylphenoxy)-2-propanol iodide IUPAC Name: 1-(3-methylbenzimidazol-3-ium-1-yl)-3-(3-methylphenoxy)propan-2-ol iodide Traditional Name: 1-(3-methylbenzimidazol-3-ium-1-yl)-3-(3-methylphenoxy)propan-2-ol iodide Formula: C18H21IN2O2 MolecularWeight: 424.27601

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N2O2.HI/c1-14-6-5-7-16(10-14)22-12-15(21)11-20-13-19(2)17-8-3-4-9-18(17)20;/h3-10,13,15,21H,11-12H2,1-2H3;1H/q+1;/p-1