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

Systemtic Name: 2-[1-(decoxymethyl)-3-methyl-benzimidazol-3-ium-2-yl]-1-phenyl-ethanol chloride Openeye Name: 2-[1-(decoxymethyl)-3-methyl-benzimidazol-3-ium-2-yl]-1-phenyl-ethanol chloride CAS Name: 2-[1-(decoxymethyl)-3-methyl-2-benzimidazol-3-iumyl]-1-phenylethanol chloride IUPAC Name: 2-[1-(decoxymethyl)-3-methylbenzimidazol-3-ium-2-yl]-1-phenylethanol chloride Traditional Name: 2-[1-(decoxymethyl)-3-methyl-benzimidazol-3-ium-2-yl]-1-phenyl-ethanol chloride Formula: C27H39ClN2O2 MolecularWeight: 459.06376

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOCN1C2=CC=CC=C2[N+](=C1CC(C3=CC=CC=C3)O)C.[Cl-]

Isomeric SMILES

CCCCCCCCCCOCN1C2=CC=CC=C2[N+](=C1CC(C3=CC=CC=C3)O)C.[Cl-]

InChI

InChI=1S/C27H39N2O2.ClH/c1-3-4-5-6-7-8-9-15-20-31-22-29-25-19-14-13-18-24(25)28(2)27(29)21-26(30)23-16-11-10-12-17-23;/h10-14,16-19,26,30H,3-9,15,20-22H2,1-2H3;1H/q+1;/p-1