2-(2-azanylethylamino)ethyl-tri(octadecanoyl)azanium

Systemtic Name: 2-(2-azanylethylamino)ethyl-tri(octadecanoyl)azanium Openeye Name: 2-(2-aminoethylamino)ethyl-tri(octadecanoyl)ammonium CAS Name: 2-(2-aminoethylamino)ethyl-tris(1-oxooctadecyl)ammonium IUPAC Name: 2-(2-aminoethylamino)ethyl-tri(octadecanoyl)azanium Traditional Name: 2-(2-aminoethylamino)ethyl-tristearoyl-ammonium Formula: C58H116N3O3+ MolecularWeight: 903.55994

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)[N+](CCNCCN)(C(=O)CCCCCCCCCCCCCCCCC)C(=O)CCCCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)[N+](CCNCCN)(C(=O)CCCCCCCCCCCCCCCCC)C(=O)CCCCCCCCCCCCCCCCC

InChI

InChI=1S/C58H116N3O3/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-56(62)61(55-54-60-53-52-59,57(63)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)58(64)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h60H,4-55,59H2,1-3H3/q+1