bis(3-octadecoxypropyl)-[(2-oxidanylidenepyrrolidin-1-yl)methyl]azanium

Systemtic Name: bis(3-octadecoxypropyl)-[(2-oxidanylidenepyrrolidin-1-yl)methyl]azanium Openeye Name: bis(3-octadecoxypropyl)-[(2-oxopyrrolidin-1-yl)methyl]ammonium CAS Name: bis(3-octadecoxypropyl)-[(2-oxo-1-pyrrolidinyl)methyl]ammonium IUPAC Name: bis(3-octadecoxypropyl)-[(2-oxopyrrolidin-1-yl)methyl]azanium Traditional Name: (2-ketopyrrolidino)methyl-bis(3-stearyloxypropyl)ammonium Formula: C47H95N2O3+ MolecularWeight: 736.2688

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOCCC[NH+](CCCOCCCCCCCCCCCCCCCCCC)CN1CCCC1=O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOCCC[NH+](CCCOCCCCCCCCCCCCCCCCCC)CN1CCCC1=O

InChI

InChI=1S/C47H94N2O3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-42-51-44-36-39-48(46-49-41-35-38-47(49)50)40-37-45-52-43-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-46H2,1-2H3/p+1