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

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

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CN(C2=CC=CC=C21)CC(COCC3=CC=CC=C3)O.[I-]

Isomeric SMILES

C[N+]1=CN(C2=CC=CC=C21)CC(COCC3=CC=CC=C3)O.[I-]

InChI

InChI=1S/C18H21N2O2.HI/c1-19-14-20(18-10-6-5-9-17(18)19)11-16(21)13-22-12-15-7-3-2-4-8-15;/h2-10,14,16,21H,11-13H2,1H3;1H/q+1;/p-1