1-heptyl-1-phenethyl-2-(phenylmethyl)-4,5-dihydroimidazol-1-ium bromide

Systemtic Name: 1-heptyl-1-phenethyl-2-(phenylmethyl)-4,5-dihydroimidazol-1-ium bromide Openeye Name: 2-benzyl-1-heptyl-1-phenethyl-4,5-dihydroimidazol-1-ium bromide CAS Name: 1-heptyl-1-phenethyl-2-(phenylmethyl)-4,5-dihydroimidazol-1-ium bromide IUPAC Name: 2-benzyl-1-heptyl-1-phenethyl-4,5-dihydroimidazol-1-ium bromide Traditional Name: 2-benzyl-1-heptyl-1-phenethyl-2-imidazolin-1-ium bromide Formula: C25H35BrN2 MolecularWeight: 443.4628

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC[N+]1(CCN=C1CC2=CC=CC=C2)CCC3=CC=CC=C3.[Br-]

Isomeric SMILES

CCCCCCC[N+]1(CCN=C1CC2=CC=CC=C2)CCC3=CC=CC=C3.[Br-]

InChI

InChI=1S/C25H35N2.BrH/c1-2-3-4-5-12-19-27(20-17-23-13-8-6-9-14-23)21-18-26-25(27)22-24-15-10-7-11-16-24;/h6-11,13-16H,2-5,12,17-22H2,1H3;1H/q+1;/p-1