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

Systemtic Name: 2-cyanoethyl-[2-(docosanoylamino)ethyl]-ethyl-(2-hydroxyethyl)azanium Openeye Name: 2-cyanoethyl-[2-(docosanoylamino)ethyl]-ethyl-(2-hydroxyethyl)ammonium CAS Name: 2-cyanoethyl-ethyl-(2-hydroxyethyl)-[2-(1-oxodocosylamino)ethyl]ammonium IUPAC Name: 2-cyanoethyl-[2-(docosanoylamino)ethyl]-ethyl-(2-hydroxyethyl)azanium Traditional Name: 2-cyanoethyl-[2-(docosanoylamino)ethyl]-ethyl-(2-hydroxyethyl)ammonium Formula: C31H62N3O2+ MolecularWeight: 508.84288

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H61N3O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24-31(36)33-26-28-34(4-2,29-30-35)27-23-25-32/h35H,3-24,26-30H2,1-2H3/p+1