1-(3-methyl-2-propyl-benzimidazol-3-ium-1-yl)-3-phenylmethoxy-propan-2-ol iodide

Systemtic Name: 1-(3-methyl-2-propyl-benzimidazol-3-ium-1-yl)-3-phenylmethoxy-propan-2-ol iodide Openeye Name: 1-benzyloxy-3-(3-methyl-2-propyl-benzimidazol-3-ium-1-yl)propan-2-ol iodide CAS Name: 1-(3-methyl-2-propyl-1-benzimidazol-3-iumyl)-3-phenylmethoxy-2-propanol iodide IUPAC Name: 1-(3-methyl-2-propylbenzimidazol-3-ium-1-yl)-3-phenylmethoxypropan-2-ol iodide Traditional Name: 1-benzoxy-3-(3-methyl-2-propyl-benzimidazol-3-ium-1-yl)propan-2-ol iodide Formula: C21H27IN2O2 MolecularWeight: 466.35575

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=[N+](C2=CC=CC=C2N1CC(COCC3=CC=CC=C3)O)C.[I-]

Isomeric SMILES

CCCC1=[N+](C2=CC=CC=C2N1CC(COCC3=CC=CC=C3)O)C.[I-]

InChI

InChI=1S/C21H27N2O2.HI/c1-3-9-21-22(2)19-12-7-8-13-20(19)23(21)14-18(24)16-25-15-17-10-5-4-6-11-17;/h4-8,10-13,18,24H,3,9,14-16H2,1-2H3;1H/q+1;/p-1