N-[3-[1-(phenylmethyl)-2-undecyl-4,5-dihydroimidazol-1-ium-1-yl]propyl]dodecanamide chloride

Systemtic Name: N-[3-[1-(phenylmethyl)-2-undecyl-4,5-dihydroimidazol-1-ium-1-yl]propyl]dodecanamide chloride Openeye Name: N-[3-(1-benzyl-2-undecyl-4,5-dihydroimidazol-1-ium-1-yl)propyl]dodecanamide chloride CAS Name: N-[3-[1-(phenylmethyl)-2-undecyl-4,5-dihydroimidazol-1-ium-1-yl]propyl]dodecanamide chloride IUPAC Name: N-[3-(1-benzyl-2-undecyl-4,5-dihydroimidazol-1-ium-1-yl)propyl]dodecanamide chloride Traditional Name: N-[3-(1-benzyl-2-undecyl-2-imidazolin-1-ium-1-yl)propyl]lauramide chloride Formula: C36H64ClN3O MolecularWeight: 590.36586

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC1=NCC[N+]1(CCCNC(=O)CCCCCCCCCCC)CC2=CC=CC=C2.[Cl-]

Isomeric SMILES

CCCCCCCCCCCC1=NCC[N+]1(CCCNC(=O)CCCCCCCCCCC)CC2=CC=CC=C2.[Cl-]

InChI

InChI=1S/C36H63N3O.ClH/c1-3-5-7-9-11-13-15-17-22-27-35-37-30-32-39(35,33-34-25-20-19-21-26-34)31-24-29-38-36(40)28-23-18-16-14-12-10-8-6-4-2;/h19-21,25-26H,3-18,22-24,27-33H2,1-2H3;1H