1-[bis(phenylmethyl)amino]oxy-1-octadecyl-pyrrolidin-1-ium-2,3-dione

Systemtic Name: 1-[bis(phenylmethyl)amino]oxy-1-octadecyl-pyrrolidin-1-ium-2,3-dione Openeye Name: 1-(dibenzylamino)oxy-1-octadecyl-pyrrolidin-1-ium-2,3-dione CAS Name: 1-[bis(phenylmethyl)amino]oxy-1-octadecylpyrrolidin-1-ium-2,3-dione IUPAC Name: 1-(dibenzylamino)oxy-1-octadecylpyrrolidin-1-ium-2,3-dione Traditional Name: 1-(dibenzylamino)oxy-1-stearyl-pyrrolidin-1-ium-2,3-quinone Formula: C36H55N2O3+ MolecularWeight: 563.8335

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC[N+]1(CCC(=O)C1=O)ON(CC2=CC=CC=C2)CC3=CC=CC=C3

Isomeric SMILES

CCCCCCCCCCCCCCCCCC[N+]1(CCC(=O)C1=O)ON(CC2=CC=CC=C2)CC3=CC=CC=C3

InChI

InChI=1S/C36H55N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-23-29-38(30-28-35(39)36(38)40)41-37(31-33-24-19-17-20-25-33)32-34-26-21-18-22-27-34/h17-22,24-27H,2-16,23,28-32H2,1H3/q+1