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

Systemtic Name: 2-[1-methyl-3-(octoxymethyl)benzimidazol-1-ium-2-yl]-1-phenyl-ethanol chloride Openeye Name: 2-[1-methyl-3-(octoxymethyl)benzimidazol-1-ium-2-yl]-1-phenyl-ethanol chloride CAS Name: 2-[1-methyl-3-(octoxymethyl)-2-benzimidazol-1-iumyl]-1-phenylethanol chloride IUPAC Name: 2-[1-methyl-3-(octoxymethyl)benzimidazol-1-ium-2-yl]-1-phenylethanol chloride Traditional Name: 2-[1-methyl-3-(octoxymethyl)benzimidazol-1-ium-2-yl]-1-phenyl-ethanol chloride Formula: C25H35ClN2O2 MolecularWeight: 431.0106

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H35N2O2.ClH/c1-3-4-5-6-7-13-18-29-20-27-23-17-12-11-16-22(23)26(2)25(27)19-24(28)21-14-9-8-10-15-21;/h8-12,14-17,24,28H,3-7,13,18-20H2,1-2H3;1H/q+1;/p-1