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

Systemtic Name: 2-[1-methyl-3-(nonoxymethyl)benzimidazol-1-ium-2-yl]-1-phenyl-ethanol chloride Openeye Name: 2-[1-methyl-3-(nonoxymethyl)benzimidazol-1-ium-2-yl]-1-phenyl-ethanol chloride CAS Name: 2-[1-methyl-3-(nonoxymethyl)-2-benzimidazol-1-iumyl]-1-phenylethanol chloride IUPAC Name: 2-[1-methyl-3-(nonoxymethyl)benzimidazol-1-ium-2-yl]-1-phenylethanol chloride Traditional Name: 2-[1-methyl-3-(nonoxymethyl)benzimidazol-1-ium-2-yl]-1-phenyl-ethanol chloride Formula: C26H37ClN2O2 MolecularWeight: 445.03718

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCOCN1C2=CC=CC=C2[N+](=C1CC(C3=CC=CC=C3)O)C.[Cl-]

Isomeric SMILES

CCCCCCCCCOCN1C2=CC=CC=C2[N+](=C1CC(C3=CC=CC=C3)O)C.[Cl-]

InChI

InChI=1S/C26H37N2O2.ClH/c1-3-4-5-6-7-8-14-19-30-21-28-24-18-13-12-17-23(24)27(2)26(28)20-25(29)22-15-10-9-11-16-22;/h9-13,15-18,25,29H,3-8,14,19-21H2,1-2H3;1H/q+1;/p-1