ethyl-hexadecyl-(3-octadecoxypropyl)-[4-(2-oxidanylidenepyrrolidin-1-yl)butyl]azanium

Systemtic Name: ethyl-hexadecyl-(3-octadecoxypropyl)-[4-(2-oxidanylidenepyrrolidin-1-yl)butyl]azanium Openeye Name: ethyl-hexadecyl-(3-octadecoxypropyl)-[4-(2-oxopyrrolidin-1-yl)butyl]ammonium CAS Name: ethyl-hexadecyl-(3-octadecoxypropyl)-[4-(2-oxo-1-pyrrolidinyl)butyl]ammonium IUPAC Name: ethyl-hexadecyl-(3-octadecoxypropyl)-[4-(2-oxopyrrolidin-1-yl)butyl]azanium Traditional Name: cetyl-ethyl-[4-(2-ketopyrrolidino)butyl]-(3-stearyloxypropyl)ammonium Formula: C47H95N2O2+ MolecularWeight: 720.2694

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOCCC[N+](CC)(CCCCCCCCCCCCCCCC)CCCCN1CCCC1=O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOCCC[N+](CC)(CCCCCCCCCCCCCCCC)CCCCN1CCCC1=O

InChI

InChI=1S/C47H95N2O2/c1-4-7-9-11-13-15-17-19-21-22-24-26-28-30-32-36-45-51-46-38-44-49(6-3,43-35-33-40-48-41-37-39-47(48)50)42-34-31-29-27-25-23-20-18-16-14-12-10-8-5-2/h4-46H2,1-3H3/q+1