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

Systemtic Name: 1-[(1-octadecylpiperidin-1-ium-1-yl)methyl]pyrrolidin-2-one Openeye Name: 1-[(1-octadecylpiperidin-1-ium-1-yl)methyl]pyrrolidin-2-one CAS Name: 1-[(1-octadecyl-1-piperidin-1-iumyl)methyl]-2-pyrrolidinone IUPAC Name: 1-[(1-octadecylpiperidin-1-ium-1-yl)methyl]pyrrolidin-2-one Traditional Name: 1-[(1-stearylpiperidin-1-ium-1-yl)methyl]-2-pyrrolidone Formula: C28H55N2O+ MolecularWeight: 435.7491

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC[N+]1(CCCCC1)CN2CCCC2=O

Isomeric SMILES

CCCCCCCCCCCCCCCCCC[N+]1(CCCCC1)CN2CCCC2=O

InChI

InChI=1S/C28H55N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-24-30(25-19-17-20-26-30)27-29-23-21-22-28(29)31/h2-27H2,1H3/q+1