2-[2-[(E)-heptadec-1-enyl]-1-(phenylmethyl)-4,5-dihydroimidazol-1-ium-1-yl]ethanol

Systemtic Name: 2-[2-[(E)-heptadec-1-enyl]-1-(phenylmethyl)-4,5-dihydroimidazol-1-ium-1-yl]ethanol Openeye Name: 2-[1-benzyl-2-[(E)-heptadec-1-enyl]-4,5-dihydroimidazol-1-ium-1-yl]ethanol CAS Name: 2-[2-[(E)-heptadec-1-enyl]-1-(phenylmethyl)-4,5-dihydroimidazol-1-ium-1-yl]ethanol IUPAC Name: 2-[1-benzyl-2-[(E)-heptadec-1-enyl]-4,5-dihydroimidazol-1-ium-1-yl]ethanol Traditional Name: 2-[1-benzyl-2-[(E)-heptadec-1-enyl]-2-imidazolin-1-ium-1-yl]ethanol Formula: C29H49N2O+ MolecularWeight: 441.71216

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCCCCCCCCCCCC/C=C/C1=NCC[N+]1(CCO)CC2=CC=CC=C2

InChI

InChI=1S/C29H49N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-29-30-23-24-31(29,25-26-32)27-28-20-17-16-18-21-28/h16-22,32H,2-15,23-27H2,1H3/q+1/b22-19+