N-[3-(2-heptadecyl-1-methyl-4,5-dihydroimidazol-1-ium-1-yl)propyl]octadecanamide

Systemtic Name: N-[3-(2-heptadecyl-1-methyl-4,5-dihydroimidazol-1-ium-1-yl)propyl]octadecanamide Openeye Name: N-[3-(2-heptadecyl-1-methyl-4,5-dihydroimidazol-1-ium-1-yl)propyl]octadecanamide CAS Name: N-[3-(2-heptadecyl-1-methyl-4,5-dihydroimidazol-1-ium-1-yl)propyl]octadecanamide IUPAC Name: N-[3-(2-heptadecyl-1-methyl-4,5-dihydroimidazol-1-ium-1-yl)propyl]octadecanamide Traditional Name: N-[3-(2-heptadecyl-1-methyl-2-imidazolin-1-ium-1-yl)propyl]stearamide Formula: C42H84N3O+ MolecularWeight: 647.13586

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC1=NCC[N+]1(C)CCCNC(=O)CCCCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCC1=NCC[N+]1(C)CCCNC(=O)CCCCCCCCCCCCCCCCC

InChI

InChI=1S/C42H83N3O/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-35-41-43-38-40-45(41,3)39-34-37-44-42(46)36-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h4-40H2,1-3H3/p+1