1-butyl-2-heptyl-3-(phenylmethyl)-4,5-dihydro-1H-imidazole-1,3-diium chloride

Systemtic Name: 1-butyl-2-heptyl-3-(phenylmethyl)-4,5-dihydro-1H-imidazole-1,3-diium chloride Openeye Name: 3-benzyl-1-butyl-2-heptyl-4,5-dihydro-1H-imidazole-1,3-diium chloride CAS Name: 1-butyl-2-heptyl-3-(phenylmethyl)-4,5-dihydro-1H-imidazole-1,3-diium chloride IUPAC Name: 3-benzyl-1-butyl-2-heptyl-4,5-dihydro-1H-imidazole-1,3-diium chloride Traditional Name: 1-benzyl-3-butyl-2-heptyl-2-imidazoline-1,3-diium chloride Formula: C21H36ClN2+ MolecularWeight: 351.97694

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=[N+](CC[NH+]1CCCC)CC2=CC=CC=C2.[Cl-]

Isomeric SMILES

CCCCCCCC1=[N+](CC[NH+]1CCCC)CC2=CC=CC=C2.[Cl-]

InChI

InChI=1S/C21H35N2.ClH/c1-3-5-7-8-12-15-21-22(16-6-4-2)17-18-23(21)19-20-13-10-9-11-14-20;/h9-11,13-14H,3-8,12,15-19H2,1-2H3;1H/q+1;