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

Systemtic Name: N-[19-(4,5-dihydro-1H-imidazol-3-ium-3-yl)-2-methyl-icosan-2-yl]octadecanamide Openeye Name: N-[18-(4,5-dihydro-1H-imidazol-3-ium-3-yl)-1,1-dimethyl-nonadecyl]octadecanamide CAS Name: N-[19-(4,5-dihydro-1H-imidazol-3-ium-3-yl)-2-methyleicosan-2-yl]octadecanamide IUPAC Name: N-[19-(4,5-dihydro-1H-imidazol-3-ium-3-yl)-2-methylicosan-2-yl]octadecanamide Traditional Name: N-[18-(2-imidazolin-1-ium-1-yl)-1,1-dimethyl-nonadecyl]stearamide Formula: C42H84N3O+ MolecularWeight: 647.13586

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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