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

Systemtic Name: 2-[1-(decoxymethyl)-3-phenyl-benzimidazol-1-ium-2-yl]-1,1-diphenyl-ethanol chloride Openeye Name: 2-[1-(decoxymethyl)-3-phenyl-benzimidazol-1-ium-2-yl]-1,1-diphenyl-ethanol chloride CAS Name: 2-[1-(decoxymethyl)-3-phenyl-2-benzimidazol-1-iumyl]-1,1-diphenylethanol chloride IUPAC Name: 2-[1-(decoxymethyl)-3-phenylbenzimidazol-1-ium-2-yl]-1,1-diphenylethanol chloride Traditional Name: 2-[1-(decoxymethyl)-3-phenyl-benzimidazol-1-ium-2-yl]-1,1-diphenyl-ethanol chloride Formula: C38H45ClN2O2 MolecularWeight: 597.2291

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC[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

CCCCCCCCCCOC[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/C38H45N2O2.ClH/c1-2-3-4-5-6-7-8-20-29-42-31-39-35-27-18-19-28-36(35)40(34-25-16-11-17-26-34)37(39)30-38(41,32-21-12-9-13-22-32)33-23-14-10-15-24-33;/h9-19,21-28,41H,2-8,20,29-31H2,1H3;1H/q+1;/p-1