2-[1-(dodecoxymethyl)-3-methyl-benzimidazol-3-ium-2-yl]-1-phenyl-ethanol chloride

Systemtic Name: 2-[1-(dodecoxymethyl)-3-methyl-benzimidazol-3-ium-2-yl]-1-phenyl-ethanol chloride Openeye Name: 2-[1-(dodecoxymethyl)-3-methyl-benzimidazol-3-ium-2-yl]-1-phenyl-ethanol chloride CAS Name: 2-[1-(dodecoxymethyl)-3-methyl-2-benzimidazol-3-iumyl]-1-phenylethanol chloride IUPAC Name: 2-[1-(dodecoxymethyl)-3-methylbenzimidazol-3-ium-2-yl]-1-phenylethanol chloride Traditional Name: 2-[1-(lauryloxymethyl)-3-methyl-benzimidazol-3-ium-2-yl]-1-phenyl-ethanol chloride Formula: C29H43ClN2O2 MolecularWeight: 487.11692

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOCN1C2=CC=CC=C2[N+](=C1CC(C3=CC=CC=C3)O)C.[Cl-]

Isomeric SMILES

CCCCCCCCCCCCOCN1C2=CC=CC=C2[N+](=C1CC(C3=CC=CC=C3)O)C.[Cl-]

InChI

InChI=1S/C29H43N2O2.ClH/c1-3-4-5-6-7-8-9-10-11-17-22-33-24-31-27-21-16-15-20-26(27)30(2)29(31)23-28(32)25-18-13-12-14-19-25;/h12-16,18-21,28,32H,3-11,17,22-24H2,1-2H3;1H/q+1;/p-1