2-ethyl-N-[1-(3-octadecyl-4,5-dihydro-1H-imidazol-3-ium-2-yl)ethyl]heptadecanamide

Systemtic Name: 2-ethyl-N-[1-(3-octadecyl-4,5-dihydro-1H-imidazol-3-ium-2-yl)ethyl]heptadecanamide Openeye Name: 2-ethyl-N-[1-(3-octadecyl-4,5-dihydro-1H-imidazol-3-ium-2-yl)ethyl]heptadecanamide CAS Name: 2-ethyl-N-[1-(3-octadecyl-4,5-dihydro-1H-imidazol-3-ium-2-yl)ethyl]heptadecanamide IUPAC Name: 2-ethyl-N-[1-(3-octadecyl-4,5-dihydro-1H-imidazol-3-ium-2-yl)ethyl]heptadecanamide Traditional Name: 2-ethyl-N-[1-(1-stearyl-2-imidazolin-1-ium-2-yl)ethyl]heptadecanamide Formula: C42H84N3O+ MolecularWeight: 647.13586

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC[N+]1=C(NCC1)C(C)NC(=O)C(CC)CCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCC[N+]1=C(NCC1)C(C)NC(=O)C(CC)CCCCCCCCCCCCCCC

InChI

InChI=1S/C42H83N3O/c1-5-8-10-12-14-16-18-20-21-22-24-26-28-30-32-34-37-45-38-36-43-41(45)39(4)44-42(46)40(7-3)35-33-31-29-27-25-23-19-17-15-13-11-9-6-2/h39-40H,5-38H2,1-4H3,(H,44,46)/p+1