2-[3-[(E)-heptadec-1-enyl]-1-(phenylmethyl)-4,5-dihydroimidazole-1,3-diium-1-yl]ethanol

Systemtic Name: 2-[3-[(E)-heptadec-1-enyl]-1-(phenylmethyl)-4,5-dihydroimidazole-1,3-diium-1-yl]ethanol Openeye Name: 2-[1-benzyl-3-[(E)-heptadec-1-enyl]-4,5-dihydroimidazole-1,3-diium-1-yl]ethanol CAS Name: 2-[3-[(E)-heptadec-1-enyl]-1-(phenylmethyl)-4,5-dihydroimidazole-1,3-diium-1-yl]ethanol IUPAC Name: 2-[1-benzyl-3-[(E)-heptadec-1-enyl]-4,5-dihydroimidazole-1,3-diium-1-yl]ethanol Traditional Name: 2-[1-benzyl-3-[(E)-heptadec-1-enyl]-2-imidazoline-1,3-diium-1-yl]ethanol Formula: C29H50N2O+2 MolecularWeight: 442.7201

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC=C[N+]1=C[N+](CC1)(CCO)CC2=CC=CC=C2

Isomeric SMILES

CCCCCCCCCCCCCCC/C=C/[N+]1=C[N+](CC1)(CCO)CC2=CC=CC=C2

InChI

InChI=1S/C29H50N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-30-23-24-31(28-30,25-26-32)27-29-20-17-16-18-21-29/h16-22,28,32H,2-15,23-27H2,1H3/q+2/b22-19+