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

Systemtic Name: 2-[1-(dodecoxymethyl)-3-phenyl-benzimidazol-1-ium-2-yl]-1,1-diphenyl-ethanol chloride Openeye Name: 2-[1-(dodecoxymethyl)-3-phenyl-benzimidazol-1-ium-2-yl]-1,1-diphenyl-ethanol chloride CAS Name: 2-[1-(dodecoxymethyl)-3-phenyl-2-benzimidazol-1-iumyl]-1,1-diphenylethanol chloride IUPAC Name: 2-[1-(dodecoxymethyl)-3-phenylbenzimidazol-1-ium-2-yl]-1,1-diphenylethanol chloride Traditional Name: 2-[1-(lauryloxymethyl)-3-phenyl-benzimidazol-1-ium-2-yl]-1,1-diphenyl-ethanol chloride Formula: C40H49ClN2O2 MolecularWeight: 625.28226

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC[N+]1=C(N(C2=CC=CC=C21)C3=CC=CC=C3)CC(C4=CC=CC=C4)(C5=CC=CC=C5)O.[Cl-]

Isomeric SMILES

CCCCCCCCCCCCOC[N+]1=C(N(C2=CC=CC=C21)C3=CC=CC=C3)CC(C4=CC=CC=C4)(C5=CC=CC=C5)O.[Cl-]

InChI

InChI=1S/C40H49N2O2.ClH/c1-2-3-4-5-6-7-8-9-10-22-31-44-33-41-37-29-20-21-30-38(37)42(36-27-18-13-19-28-36)39(41)32-40(43,34-23-14-11-15-24-34)35-25-16-12-17-26-35;/h11-21,23-30,43H,2-10,22,31-33H2,1H3;1H/q+1;/p-1