N-(2-cyanoethyl)-N-[2-(1-ethyl-2-heptadecyl-4,5-dihydroimidazol-1-ium-1-yl)ethyl]octadecanamide

Systemtic Name: N-(2-cyanoethyl)-N-[2-(1-ethyl-2-heptadecyl-4,5-dihydroimidazol-1-ium-1-yl)ethyl]octadecanamide Openeye Name: N-(2-cyanoethyl)-N-[2-(1-ethyl-2-heptadecyl-4,5-dihydroimidazol-1-ium-1-yl)ethyl]octadecanamide CAS Name: N-(2-cyanoethyl)-N-[2-(1-ethyl-2-heptadecyl-4,5-dihydroimidazol-1-ium-1-yl)ethyl]octadecanamide IUPAC Name: N-(2-cyanoethyl)-N-[2-(1-ethyl-2-heptadecyl-4,5-dihydroimidazol-1-ium-1-yl)ethyl]octadecanamide Traditional Name: N-(2-cyanoethyl)-N-[2-(1-ethyl-2-heptadecyl-2-imidazolin-1-ium-1-yl)ethyl]stearamide Formula: C45H87N4O+ MolecularWeight: 700.19848

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC1=NCC[N+]1(CC)CCN(CCC#N)C(=O)CCCCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCC1=NCC[N+]1(CC)CCN(CCC#N)C(=O)CCCCCCCCCCCCCCCCC

InChI

InChI=1S/C45H87N4O/c1-4-7-9-11-13-15-17-19-21-23-25-27-29-31-33-36-44-47-39-42-49(44,6-3)43-41-48(40-35-38-46)45(50)37-34-32-30-28-26-24-22-20-18-16-14-12-10-8-5-2/h4-37,39-43H2,1-3H3/q+1