1-phenylmethoxy-3-(3,5,6-trimethylbenzimidazol-3-ium-1-yl)propan-2-ol iodide

Systemtic Name: 1-phenylmethoxy-3-(3,5,6-trimethylbenzimidazol-3-ium-1-yl)propan-2-ol iodide Openeye Name: 1-benzyloxy-3-(3,5,6-trimethylbenzimidazol-3-ium-1-yl)propan-2-ol iodide CAS Name: 1-phenylmethoxy-3-(3,5,6-trimethyl-1-benzimidazol-3-iumyl)-2-propanol iodide IUPAC Name: 1-phenylmethoxy-3-(3,5,6-trimethylbenzimidazol-3-ium-1-yl)propan-2-ol iodide Traditional Name: 1-benzoxy-3-(3,5,6-trimethylbenzimidazol-3-ium-1-yl)propan-2-ol iodide Formula: C20H25IN2O2 MolecularWeight: 452.32917

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)[N+](=CN2CC(COCC3=CC=CC=C3)O)C.[I-]

Isomeric SMILES

CC1=CC2=C(C=C1C)[N+](=CN2CC(COCC3=CC=CC=C3)O)C.[I-]

InChI

InChI=1S/C20H25N2O2.HI/c1-15-9-19-20(10-16(15)2)22(14-21(19)3)11-18(23)13-24-12-17-7-5-4-6-8-17;/h4-10,14,18,23H,11-13H2,1-3H3;1H/q+1;/p-1