N-[2-(2-heptadecyl-3-methyl-1,2-dihydroimidazol-3-ium-3-yl)ethyl]octadecanamide chloride

Systemtic Name: N-[2-(2-heptadecyl-3-methyl-1,2-dihydroimidazol-3-ium-3-yl)ethyl]octadecanamide chloride Openeye Name: N-[2-(2-heptadecyl-3-methyl-1,2-dihydroimidazol-3-ium-3-yl)ethyl]octadecanamide chloride CAS Name: N-[2-(2-heptadecyl-3-methyl-1,2-dihydroimidazol-3-ium-3-yl)ethyl]octadecanamide chloride IUPAC Name: N-[2-(2-heptadecyl-3-methyl-1,2-dihydroimidazol-3-ium-3-yl)ethyl]octadecanamide chloride Traditional Name: N-[2-(2-heptadecyl-1-methyl-4-imidazolin-1-ium-1-yl)ethyl]stearamide chloride Formula: C41H82ClN3O MolecularWeight: 668.56228

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC1NC=C[N+]1(C)CCNC(=O)CCCCCCCCCCCCCCCCC.[Cl-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC1NC=C[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;/h36,38,40,42H,4-35,37,39H2,1-3H3;1H