N-[2-(2-heptadecyl-1-methyl-4,5-dihydroimidazole-1,3-diium-1-yl)ethyl]octadecanamide chloride

Systemtic Name: N-[2-(2-heptadecyl-1-methyl-4,5-dihydroimidazole-1,3-diium-1-yl)ethyl]octadecanamide chloride Openeye Name: N-[2-(2-heptadecyl-1-methyl-4,5-dihydroimidazole-1,3-diium-1-yl)ethyl]octadecanamide chloride CAS Name: N-[2-(2-heptadecyl-1-methyl-4,5-dihydroimidazole-1,3-diium-1-yl)ethyl]octadecanamide chloride IUPAC Name: N-[2-(2-heptadecyl-1-methyl-4,5-dihydroimidazole-1,3-diium-1-yl)ethyl]octadecanamide chloride Traditional Name: N-[2-(2-heptadecyl-1-methyl-2-imidazoline-1,3-diium-1-yl)ethyl]stearamide chloride Formula: C41H83ClN3O+ MolecularWeight: 669.57022

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC1=[NH+]CC[N+]1(C)CCNC(=O)CCCCCCCCCCCCCCCCC.[Cl-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC1=[NH+]CC[N+]1(C)CCNC(=O)CCCCCCCCCCCCCCCCC.[Cl-]

InChI

InChI=1S/C41H81N3O.ClH/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-40-42-36-38-44(40,3)39-37-43-41(45)35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2;/h4-39H2,1-3H3;1H/p+1