N-[2-[2-heptadecyl-1-(phenylmethyl)-4,5-dihydroimidazol-1-ium-1-yl]ethyl]octadecanamide chloride

Systemtic Name: N-[2-[2-heptadecyl-1-(phenylmethyl)-4,5-dihydroimidazol-1-ium-1-yl]ethyl]octadecanamide chloride Openeye Name: N-[2-(1-benzyl-2-heptadecyl-4,5-dihydroimidazol-1-ium-1-yl)ethyl]octadecanamide chloride CAS Name: N-[2-[2-heptadecyl-1-(phenylmethyl)-4,5-dihydroimidazol-1-ium-1-yl]ethyl]octadecanamide chloride IUPAC Name: N-[2-(1-benzyl-2-heptadecyl-4,5-dihydroimidazol-1-ium-1-yl)ethyl]octadecanamide chloride Traditional Name: N-[2-(1-benzyl-2-heptadecyl-2-imidazolin-1-ium-1-yl)ethyl]stearamide chloride Formula: C47H86ClN3O MolecularWeight: 744.65824

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC1=NCC[N+]1(CCNC(=O)CCCCCCCCCCCCCCCCC)CC2=CC=CC=C2.[Cl-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC1=NCC[N+]1(CCNC(=O)CCCCCCCCCCCCCCCCC)CC2=CC=CC=C2.[Cl-]

InChI

InChI=1S/C47H85N3O.ClH/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34-38-46-48-40-42-50(46,44-45-36-32-31-33-37-45)43-41-49-47(51)39-35-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;/h31-33,36-37H,3-30,34-35,38-44H2,1-2H3;1H