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

Systemtic Name: 2-[1-(octoxymethyl)-3-phenyl-benzimidazol-1-ium-2-yl]-1,1-diphenyl-ethanol chloride Openeye Name: 2-[1-(octoxymethyl)-3-phenyl-benzimidazol-1-ium-2-yl]-1,1-diphenyl-ethanol chloride CAS Name: 2-[1-(octoxymethyl)-3-phenyl-2-benzimidazol-1-iumyl]-1,1-diphenylethanol chloride IUPAC Name: 2-[1-(octoxymethyl)-3-phenylbenzimidazol-1-ium-2-yl]-1,1-diphenylethanol chloride Traditional Name: 2-[1-(octoxymethyl)-3-phenyl-benzimidazol-1-ium-2-yl]-1,1-diphenyl-ethanol chloride Formula: C36H41ClN2O2 MolecularWeight: 569.17594

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC[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

CCCCCCCCOC[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/C36H41N2O2.ClH/c1-2-3-4-5-6-18-27-40-29-37-33-25-16-17-26-34(33)38(32-23-14-9-15-24-32)35(37)28-36(39,30-19-10-7-11-20-30)31-21-12-8-13-22-31;/h7-17,19-26,39H,2-6,18,27-29H2,1H3;1H/q+1;/p-1