1-[2-[(E)-octadec-9-enyl]-1-(phenylmethyl)-4,5-dihydroimidazol-1-ium-1-yl]ethanol

Systemtic Name: 1-[2-[(E)-octadec-9-enyl]-1-(phenylmethyl)-4,5-dihydroimidazol-1-ium-1-yl]ethanol Openeye Name: 1-[1-benzyl-2-[(E)-octadec-9-enyl]-4,5-dihydroimidazol-1-ium-1-yl]ethanol CAS Name: 1-[2-[(E)-octadec-9-enyl]-1-(phenylmethyl)-4,5-dihydroimidazol-1-ium-1-yl]ethanol IUPAC Name: 1-[1-benzyl-2-[(E)-octadec-9-enyl]-4,5-dihydroimidazol-1-ium-1-yl]ethanol Traditional Name: 1-[1-benzyl-2-[(E)-octadec-9-enyl]-2-imidazolin-1-ium-1-yl]ethanol Formula: C30H51N2O+ MolecularWeight: 455.73874

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCCC1=NCC[N+]1(CC2=CC=CC=C2)C(C)O

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCCC1=NCC[N+]1(CC2=CC=CC=C2)C(C)O

InChI

InChI=1S/C30H51N2O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-24-30-31-25-26-32(30,28(2)33)27-29-22-19-18-20-23-29/h10-11,18-20,22-23,28,33H,3-9,12-17,21,24-27H2,1-2H3/q+1/b11-10+