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

Systemtic Name: 2-[1-methyl-3-(octoxymethyl)benzimidazol-1-ium-2-yl]-1,1-diphenyl-ethanol chloride Openeye Name: 2-[1-methyl-3-(octoxymethyl)benzimidazol-1-ium-2-yl]-1,1-diphenyl-ethanol chloride CAS Name: 2-[1-methyl-3-(octoxymethyl)-2-benzimidazol-1-iumyl]-1,1-diphenylethanol chloride IUPAC Name: 2-[1-methyl-3-(octoxymethyl)benzimidazol-1-ium-2-yl]-1,1-diphenylethanol chloride Traditional Name: 2-[1-methyl-3-(octoxymethyl)benzimidazol-1-ium-2-yl]-1,1-diphenyl-ethanol chloride Formula: C31H39ClN2O2 MolecularWeight: 507.10656

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOCN1C2=CC=CC=C2[N+](=C1CC(C3=CC=CC=C3)(C4=CC=CC=C4)O)C.[Cl-]

Isomeric SMILES

CCCCCCCCOCN1C2=CC=CC=C2[N+](=C1CC(C3=CC=CC=C3)(C4=CC=CC=C4)O)C.[Cl-]

InChI

InChI=1S/C31H39N2O2.ClH/c1-3-4-5-6-7-16-23-35-25-33-29-22-15-14-21-28(29)32(2)30(33)24-31(34,26-17-10-8-11-18-26)27-19-12-9-13-20-27;/h8-15,17-22,34H,3-7,16,23-25H2,1-2H3;1H/q+1;/p-1