N-[19-(4,5-dihydro-1H-imidazol-3-ium-3-yl)henicosan-2-yl]octadecanamide

Systemtic Name: N-[19-(4,5-dihydro-1H-imidazol-3-ium-3-yl)henicosan-2-yl]octadecanamide Openeye Name: N-[18-(4,5-dihydro-1H-imidazol-3-ium-3-yl)-1-methyl-icosyl]octadecanamide CAS Name: N-[19-(4,5-dihydro-1H-imidazol-3-ium-3-yl)heneicosan-2-yl]octadecanamide IUPAC Name: N-[19-(4,5-dihydro-1H-imidazol-3-ium-3-yl)henicosan-2-yl]octadecanamide Traditional Name: N-[18-(2-imidazolin-1-ium-1-yl)-1-methyl-eicosyl]stearamide Formula: C42H84N3O+ MolecularWeight: 647.13586

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)NC(C)CCCCCCCCCCCCCCCCC(CC)[N+]1=CNCC1

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)NC(C)CCCCCCCCCCCCCCCCC(CC)[N+]1=CNCC1

InChI

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