butyl-(2-icosoxyethyl)-[(2-oxidanylidenepyrrolidin-1-yl)methyl]-(phenylmethyl)azanium chloride

Systemtic Name: butyl-(2-icosoxyethyl)-[(2-oxidanylidenepyrrolidin-1-yl)methyl]-(phenylmethyl)azanium chloride Openeye Name: benzyl-butyl-(2-icosoxyethyl)-[(2-oxopyrrolidin-1-yl)methyl]ammonium chloride CAS Name: butyl-(2-eicosoxyethyl)-[(2-oxo-1-pyrrolidinyl)methyl]-(phenylmethyl)ammonium chloride IUPAC Name: benzyl-butyl-(2-icosoxyethyl)-[(2-oxopyrrolidin-1-yl)methyl]azanium chloride Traditional Name: 2-arachyloxyethyl-benzyl-butyl-[(2-ketopyrrolidino)methyl]ammonium chloride Formula: C38H69ClN2O2 MolecularWeight: 621.41966

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCOCC[N+](CCCC)(CC1=CC=CC=C1)CN2CCCC2=O.[Cl-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCOCC[N+](CCCC)(CC1=CC=CC=C1)CN2CCCC2=O.[Cl-]

InChI

InChI=1S/C38H69N2O2.ClH/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-33-42-34-32-40(31-6-4-2,35-37-27-23-22-24-28-37)36-39-30-26-29-38(39)41;/h22-24,27-28H,3-21,25-26,29-36H2,1-2H3;1H/q+1;/p-1