1-[(1-octadecyl-2,3-dihydroindol-1-ium-1-yl)methyl]pyrrolidin-2-one chloride

Systemtic Name: 1-[(1-octadecyl-2,3-dihydroindol-1-ium-1-yl)methyl]pyrrolidin-2-one chloride Openeye Name: 1-[(1-octadecylindolin-1-ium-1-yl)methyl]pyrrolidin-2-one chloride CAS Name: 1-[(1-octadecyl-2,3-dihydroindol-1-ium-1-yl)methyl]-2-pyrrolidinone chloride IUPAC Name: 1-[(1-octadecyl-2,3-dihydroindol-1-ium-1-yl)methyl]pyrrolidin-2-one chloride Traditional Name: 1-[(1-stearylindolin-1-ium-1-yl)methyl]-2-pyrrolidone chloride Formula: C31H53ClN2O MolecularWeight: 505.21832

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC[N+]1(CCC2=CC=CC=C21)CN3CCCC3=O.[Cl-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC[N+]1(CCC2=CC=CC=C21)CN3CCCC3=O.[Cl-]

InChI

InChI=1S/C31H53N2O.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-26-33(28-32-25-20-23-31(32)34)27-24-29-21-17-18-22-30(29)33;/h17-18,21-22H,2-16,19-20,23-28H2,1H3;1H/q+1;/p-1