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

Systemtic Name: 1-[(1-octadecylpiperidin-1-ium-1-yl)methyl]pyrrolidin-2-one chloride Openeye Name: 1-[(1-octadecylpiperidin-1-ium-1-yl)methyl]pyrrolidin-2-one chloride CAS Name: 1-[(1-octadecyl-1-piperidin-1-iumyl)methyl]-2-pyrrolidinone chloride IUPAC Name: 1-[(1-octadecylpiperidin-1-ium-1-yl)methyl]pyrrolidin-2-one chloride Traditional Name: 1-[(1-stearylpiperidin-1-ium-1-yl)methyl]-2-pyrrolidone chloride Formula: C28H55ClN2O MolecularWeight: 471.2021

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H55N2O.ClH/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;1H/q+1;/p-1