2-[2-heptadecyl-3-(phenylmethyl)-4,5-dihydroimidazol-3-ium-1-yl]ethanol chloride

Systemtic Name: 2-[2-heptadecyl-3-(phenylmethyl)-4,5-dihydroimidazol-3-ium-1-yl]ethanol chloride Openeye Name: 2-(3-benzyl-2-heptadecyl-4,5-dihydroimidazol-3-ium-1-yl)ethanol chloride CAS Name: 2-[2-heptadecyl-3-(phenylmethyl)-4,5-dihydroimidazol-3-ium-1-yl]ethanol chloride IUPAC Name: 2-(3-benzyl-2-heptadecyl-4,5-dihydroimidazol-3-ium-1-yl)ethanol chloride Traditional Name: 2-(3-benzyl-2-heptadecyl-2-imidazolin-3-ium-1-yl)ethanol chloride Formula: C29H51ClN2O MolecularWeight: 479.18104

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC1=[N+](CCN1CCO)CC2=CC=CC=C2.[Cl-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC1=[N+](CCN1CCO)CC2=CC=CC=C2.[Cl-]

InChI

InChI=1S/C29H51N2O.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-29-30(25-26-32)23-24-31(29)27-28-20-17-16-18-21-28;/h16-18,20-21,32H,2-15,19,22-27H2,1H3;1H/q+1;/p-1