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

Systemtic Name: 2-[1-(nonoxymethyl)-3-phenyl-benzimidazol-1-ium-2-yl]-1,1-diphenyl-ethanol chloride Openeye Name: 2-[1-(nonoxymethyl)-3-phenyl-benzimidazol-1-ium-2-yl]-1,1-diphenyl-ethanol chloride CAS Name: 2-[1-(nonoxymethyl)-3-phenyl-2-benzimidazol-1-iumyl]-1,1-diphenylethanol chloride IUPAC Name: 2-[1-(nonoxymethyl)-3-phenylbenzimidazol-1-ium-2-yl]-1,1-diphenylethanol chloride Traditional Name: 2-[1-(nonoxymethyl)-3-phenyl-benzimidazol-1-ium-2-yl]-1,1-diphenyl-ethanol chloride Formula: C37H43ClN2O2 MolecularWeight: 583.20252

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCOC[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

CCCCCCCCCOC[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/C37H43N2O2.ClH/c1-2-3-4-5-6-7-19-28-41-30-38-34-26-17-18-27-35(34)39(33-24-15-10-16-25-33)36(38)29-37(40,31-20-11-8-12-21-31)32-22-13-9-14-23-32;/h8-18,20-27,40H,2-7,19,28-30H2,1H3;1H/q+1;/p-1