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

Systemtic Name: N-[19-(4,5-dihydro-1H-imidazol-3-ium-3-yl)icosan-2-yl]octadecanamide hydrochloride Openeye Name: N-[18-(4,5-dihydro-1H-imidazol-3-ium-3-yl)-1-methyl-nonadecyl]octadecanamide hydrochloride CAS Name: N-[19-(4,5-dihydro-1H-imidazol-3-ium-3-yl)eicosan-2-yl]octadecanamide hydrochloride IUPAC Name: N-[19-(4,5-dihydro-1H-imidazol-3-ium-3-yl)icosan-2-yl]octadecanamide hydrochloride Traditional Name: N-[18-(2-imidazolin-1-ium-1-yl)-1-methyl-nonadecyl]stearamide hydrochloride Formula: C41H83ClN3O+ MolecularWeight: 669.57022

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C41H81N3O.ClH/c1-4-5-6-7-8-9-10-11-12-17-20-23-26-29-32-35-41(45)43-39(2)33-30-27-24-21-18-15-13-14-16-19-22-25-28-31-34-40(3)44-37-36-42-38-44;/h38-40H,4-37H2,1-3H3,(H,43,45);1H/p+1