1-pentyl-3-(phenylmethyl)-2-undecyl-4,5-dihydro-1H-imidazole-1,3-diium bromide

Systemtic Name: 1-pentyl-3-(phenylmethyl)-2-undecyl-4,5-dihydro-1H-imidazole-1,3-diium bromide Openeye Name: 3-benzyl-1-pentyl-2-undecyl-4,5-dihydro-1H-imidazole-1,3-diium bromide CAS Name: 1-pentyl-3-(phenylmethyl)-2-undecyl-4,5-dihydro-1H-imidazole-1,3-diium bromide IUPAC Name: 3-benzyl-1-pentyl-2-undecyl-4,5-dihydro-1H-imidazole-1,3-diium bromide Traditional Name: 1-amyl-3-benzyl-2-undecyl-2-imidazoline-1,3-diium bromide Formula: C26H46BrN2+ MolecularWeight: 466.56084

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC1=[N+](CC[NH+]1CCCCC)CC2=CC=CC=C2.[Br-]

Isomeric SMILES

CCCCCCCCCCCC1=[N+](CC[NH+]1CCCCC)CC2=CC=CC=C2.[Br-]

InChI

InChI=1S/C26H45N2.BrH/c1-3-5-7-8-9-10-11-12-16-20-26-27(21-17-6-4-2)22-23-28(26)24-25-18-14-13-15-19-25;/h13-15,18-19H,3-12,16-17,20-24H2,1-2H3;1H/q+1;