2-[2-[2-(2-azanylethylamino)ethylamino]ethylamino]ethyl-trioctadecyl-azanium

Systemtic Name: 2-[2-[2-(2-azanylethylamino)ethylamino]ethylamino]ethyl-trioctadecyl-azanium Openeye Name: 2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethyl-trioctadecyl-ammonium CAS Name: 2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethyl-trioctadecylammonium IUPAC Name: 2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethyl-trioctadecylazanium Traditional Name: 2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethyl-tristearyl-ammonium Formula: C62H132N5+ MolecularWeight: 947.74498

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC[N+](CCCCCCCCCCCCCCCCCC)(CCCCCCCCCCCCCCCCCC)CCNCCNCCNCCN

Isomeric SMILES

CCCCCCCCCCCCCCCCCC[N+](CCCCCCCCCCCCCCCCCC)(CCCCCCCCCCCCCCCCCC)CCNCCNCCNCCN

InChI

InChI=1S/C62H132N5/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-59-67(62-58-66-57-56-65-55-54-64-53-52-63,60-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)61-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h64-66H,4-63H2,1-3H3/q+1