2-cyanoethyl-bis[2-(docosanoylamino)ethyl]-ethyl-azanium

Systemtic Name: 2-cyanoethyl-bis[2-(docosanoylamino)ethyl]-ethyl-azanium Openeye Name: 2-cyanoethyl-bis[2-(docosanoylamino)ethyl]-ethyl-ammonium CAS Name: 2-cyanoethyl-ethyl-bis[2-(1-oxodocosylamino)ethyl]ammonium IUPAC Name: 2-cyanoethyl-bis[2-(docosanoylamino)ethyl]-ethylazanium Traditional Name: 2-cyanoethyl-bis[2-(docosanoylamino)ethyl]-ethyl-ammonium Formula: C53H105N4O2+ MolecularWeight: 830.4264

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCC(=O)NCC[N+](CC)(CCC#N)CCNC(=O)CCCCCCCCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCC(=O)NCC[N+](CC)(CCC#N)CCNC(=O)CCCCCCCCCCCCCCCCCCCCC

InChI

InChI=1S/C53H104N4O2/c1-4-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-44-52(58)55-47-50-57(6-3,49-43-46-54)51-48-56-53(59)45-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-5-2/h4-45,47-51H2,1-3H3,(H-,55,56,58,59)/p+1