2-[2-henicosyl-1-(phenylmethyl)-4,5-dihydroimidazol-1-ium-1-yl]ethanol chloride

Systemtic Name: 2-[2-henicosyl-1-(phenylmethyl)-4,5-dihydroimidazol-1-ium-1-yl]ethanol chloride Openeye Name: 2-(1-benzyl-2-henicosyl-4,5-dihydroimidazol-1-ium-1-yl)ethanol chloride CAS Name: 2-[2-heneicosyl-1-(phenylmethyl)-4,5-dihydroimidazol-1-ium-1-yl]ethanol chloride IUPAC Name: 2-(1-benzyl-2-henicosyl-4,5-dihydroimidazol-1-ium-1-yl)ethanol chloride Traditional Name: 2-(1-benzyl-2-heneicosyl-2-imidazolin-1-ium-1-yl)ethanol chloride Formula: C33H59ClN2O MolecularWeight: 535.28736

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCC1=NCC[N+]1(CCO)CC2=CC=CC=C2.[Cl-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCC1=NCC[N+]1(CCO)CC2=CC=CC=C2.[Cl-]

InChI

InChI=1S/C33H59N2O.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-26-33-34-27-28-35(33,29-30-36)31-32-24-21-20-22-25-32;/h20-22,24-25,36H,2-19,23,26-31H2,1H3;1H/q+1;/p-1