2-[2-(15-methylhexadecyl)-3-(phenylmethyl)-1,2-dihydroimidazol-3-ium-3-yl]ethanol

Systemtic Name: 2-[2-(15-methylhexadecyl)-3-(phenylmethyl)-1,2-dihydroimidazol-3-ium-3-yl]ethanol Openeye Name: 2-[3-benzyl-2-(15-methylhexadecyl)-1,2-dihydroimidazol-3-ium-3-yl]ethanol CAS Name: 2-[2-(15-methylhexadecyl)-3-(phenylmethyl)-1,2-dihydroimidazol-3-ium-3-yl]ethanol IUPAC Name: 2-[3-benzyl-2-(15-methylhexadecyl)-1,2-dihydroimidazol-3-ium-3-yl]ethanol Traditional Name: 2-[1-benzyl-2-(15-methylhexadecyl)-4-imidazolin-1-ium-1-yl]ethanol Formula: C29H51N2O+ MolecularWeight: 443.72804

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCCCCCCCCCCCC1NC=C[N+]1(CCO)CC2=CC=CC=C2

Isomeric SMILES

CC(C)CCCCCCCCCCCCCCC1NC=C[N+]1(CCO)CC2=CC=CC=C2

InChI

InChI=1S/C29H51N2O/c1-27(2)18-14-11-9-7-5-3-4-6-8-10-12-17-21-29-30-22-23-31(29,24-25-32)26-28-19-15-13-16-20-28/h13,15-16,19-20,22-23,27,29-30,32H,3-12,14,17-18,21,24-26H2,1-2H3/q+1