16-methyl-N-[2-[2-(15-methylhexadecyl)-1-(phenylmethyl)-4,5-dihydroimidazol-1-ium-1-yl]ethyl]heptadecanamide

Systemtic Name: 16-methyl-N-[2-[2-(15-methylhexadecyl)-1-(phenylmethyl)-4,5-dihydroimidazol-1-ium-1-yl]ethyl]heptadecanamide Openeye Name: N-[2-[1-benzyl-2-(15-methylhexadecyl)-4,5-dihydroimidazol-1-ium-1-yl]ethyl]-16-methyl-heptadecanamide CAS Name: 16-methyl-N-[2-[2-(15-methylhexadecyl)-1-(phenylmethyl)-4,5-dihydroimidazol-1-ium-1-yl]ethyl]heptadecanamide IUPAC Name: N-[2-[1-benzyl-2-(15-methylhexadecyl)-4,5-dihydroimidazol-1-ium-1-yl]ethyl]-16-methylheptadecanamide Traditional Name: N-[2-[1-benzyl-2-(15-methylhexadecyl)-2-imidazolin-1-ium-1-yl]ethyl]-16-methyl-heptadecanamide Formula: C47H86N3O+ MolecularWeight: 709.20524

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCCCCCCCCCCCC1=NCC[N+]1(CCNC(=O)CCCCCCCCCCCCCCC(C)C)CC2=CC=CC=C2

Isomeric SMILES

CC(C)CCCCCCCCCCCCCCC1=NCC[N+]1(CCNC(=O)CCCCCCCCCCCCCCC(C)C)CC2=CC=CC=C2

InChI

InChI=1S/C47H85N3O/c1-43(2)32-26-21-17-13-9-5-7-11-15-19-23-30-36-46-48-38-40-50(46,42-45-34-28-25-29-35-45)41-39-49-47(51)37-31-24-20-16-12-8-6-10-14-18-22-27-33-44(3)4/h25,28-29,34-35,43-44H,5-24,26-27,30-33,36-42H2,1-4H3/p+1