3-dodecyl-2-methyl-1-(phenylmethyl)-4,5-dihydro-1H-imidazole-1,3-diium chloride

Systemtic Name: 3-dodecyl-2-methyl-1-(phenylmethyl)-4,5-dihydro-1H-imidazole-1,3-diium chloride Openeye Name: 1-benzyl-3-dodecyl-2-methyl-4,5-dihydro-1H-imidazole-1,3-diium chloride CAS Name: 3-dodecyl-2-methyl-1-(phenylmethyl)-4,5-dihydro-1H-imidazole-1,3-diium chloride IUPAC Name: 1-benzyl-3-dodecyl-2-methyl-4,5-dihydro-1H-imidazole-1,3-diium chloride Traditional Name: 1-benzyl-3-lauryl-2-methyl-2-imidazoline-1,3-diium chloride Formula: C23H40ClN2+ MolecularWeight: 380.0301

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC[N+]1=C([NH+](CC1)CC2=CC=CC=C2)C.[Cl-]

Isomeric SMILES

CCCCCCCCCCCC[N+]1=C([NH+](CC1)CC2=CC=CC=C2)C.[Cl-]

InChI

InChI=1S/C23H39N2.ClH/c1-3-4-5-6-7-8-9-10-11-15-18-24-19-20-25(22(24)2)21-23-16-13-12-14-17-23;/h12-14,16-17H,3-11,15,18-21H2,1-2H3;1H/q+1;