2-[2-(15-methylhexadecyl)-1-(phenylmethyl)-4,5-dihydroimidazol-1-ium-1-yl]ethanol chloride

Systemtic Name: 2-[2-(15-methylhexadecyl)-1-(phenylmethyl)-4,5-dihydroimidazol-1-ium-1-yl]ethanol chloride Openeye Name: 2-[1-benzyl-2-(15-methylhexadecyl)-4,5-dihydroimidazol-1-ium-1-yl]ethanol chloride CAS Name: 2-[2-(15-methylhexadecyl)-1-(phenylmethyl)-4,5-dihydroimidazol-1-ium-1-yl]ethanol chloride IUPAC Name: 2-[1-benzyl-2-(15-methylhexadecyl)-4,5-dihydroimidazol-1-ium-1-yl]ethanol chloride Traditional Name: 2-[1-benzyl-2-(15-methylhexadecyl)-2-imidazolin-1-ium-1-yl]ethanol chloride Formula: C29H51ClN2O MolecularWeight: 479.18104

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCCCCCCCCCCCC1=NCC[N+]1(CCO)CC2=CC=CC=C2.[Cl-]

Isomeric SMILES

CC(C)CCCCCCCCCCCCCCC1=NCC[N+]1(CCO)CC2=CC=CC=C2.[Cl-]

InChI

InChI=1S/C29H51N2O.ClH/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;/h13,15-16,19-20,27,32H,3-12,14,17-18,21-26H2,1-2H3;1H/q+1;/p-1