2-[1-(dodecoxymethyl)-3-methyl-benzimidazol-3-ium-2-yl]-1,1-diphenyl-butan-1-ol chloride

Systemtic Name: 2-[1-(dodecoxymethyl)-3-methyl-benzimidazol-3-ium-2-yl]-1,1-diphenyl-butan-1-ol chloride Openeye Name: 2-[1-(dodecoxymethyl)-3-methyl-benzimidazol-3-ium-2-yl]-1,1-diphenyl-butan-1-ol chloride CAS Name: 2-[1-(dodecoxymethyl)-3-methyl-2-benzimidazol-3-iumyl]-1,1-diphenyl-1-butanol chloride IUPAC Name: 2-[1-(dodecoxymethyl)-3-methylbenzimidazol-3-ium-2-yl]-1,1-diphenylbutan-1-ol chloride Traditional Name: 2-[1-(lauryloxymethyl)-3-methyl-benzimidazol-3-ium-2-yl]-1,1-diphenyl-butan-1-ol chloride Formula: C37H51ClN2O2 MolecularWeight: 591.26604

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOCN1C2=CC=CC=C2[N+](=C1C(CC)C(C3=CC=CC=C3)(C4=CC=CC=C4)O)C.[Cl-]

Isomeric SMILES

CCCCCCCCCCCCOCN1C2=CC=CC=C2[N+](=C1C(CC)C(C3=CC=CC=C3)(C4=CC=CC=C4)O)C.[Cl-]

InChI

InChI=1S/C37H51N2O2.ClH/c1-4-6-7-8-9-10-11-12-13-22-29-41-30-39-35-28-21-20-27-34(35)38(3)36(39)33(5-2)37(40,31-23-16-14-17-24-31)32-25-18-15-19-26-32;/h14-21,23-28,33,40H,4-13,22,29-30H2,1-3H3;1H/q+1;/p-1