16-methyl-N-[3-[2-(15-methylhexadecyl)-1-(phenylmethyl)-4,5-dihydroimidazol-1-ium-1-yl]propyl]heptadecanamide

Systemtic Name: 16-methyl-N-[3-[2-(15-methylhexadecyl)-1-(phenylmethyl)-4,5-dihydroimidazol-1-ium-1-yl]propyl]heptadecanamide Openeye Name: N-[3-[1-benzyl-2-(15-methylhexadecyl)-4,5-dihydroimidazol-1-ium-1-yl]propyl]-16-methyl-heptadecanamide CAS Name: 16-methyl-N-[3-[2-(15-methylhexadecyl)-1-(phenylmethyl)-4,5-dihydroimidazol-1-ium-1-yl]propyl]heptadecanamide IUPAC Name: N-[3-[1-benzyl-2-(15-methylhexadecyl)-4,5-dihydroimidazol-1-ium-1-yl]propyl]-16-methylheptadecanamide Traditional Name: N-[3-[1-benzyl-2-(15-methylhexadecyl)-2-imidazolin-1-ium-1-yl]propyl]-16-methyl-heptadecanamide Formula: C48H88N3O+ MolecularWeight: 723.23182

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C48H87N3O/c1-44(2)33-26-21-17-13-9-5-7-11-15-19-23-30-37-47-49-40-42-51(47,43-46-35-28-25-29-36-46)41-32-39-50-48(52)38-31-24-20-16-12-8-6-10-14-18-22-27-34-45(3)4/h25,28-29,35-36,44-45H,5-24,26-27,30-34,37-43H2,1-4H3/p+1