1-[(1-octadecylpyrrolidin-1-ium-1-yl)methyl]pyrrolidin-2-one

Systemtic Name: 1-[(1-octadecylpyrrolidin-1-ium-1-yl)methyl]pyrrolidin-2-one Openeye Name: 1-[(1-octadecylpyrrolidin-1-ium-1-yl)methyl]pyrrolidin-2-one CAS Name: 1-[(1-octadecyl-1-pyrrolidin-1-iumyl)methyl]-2-pyrrolidinone IUPAC Name: 1-[(1-octadecylpyrrolidin-1-ium-1-yl)methyl]pyrrolidin-2-one Traditional Name: 1-[(1-stearylpyrrolidin-1-ium-1-yl)methyl]-2-pyrrolidone Formula: C27H53N2O+ MolecularWeight: 421.72252

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC[N+]1(CCCC1)CN2CCCC2=O

Isomeric SMILES

CCCCCCCCCCCCCCCCCC[N+]1(CCCC1)CN2CCCC2=O

InChI

InChI=1S/C27H53N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23-29(24-18-19-25-29)26-28-22-20-21-27(28)30/h2-26H2,1H3/q+1