1-octadecyl-1-(pyridin-1-ium-1-ylmethyl)pyrrolidin-1-ium-2-one

Systemtic Name: 1-octadecyl-1-(pyridin-1-ium-1-ylmethyl)pyrrolidin-1-ium-2-one Openeye Name: 1-octadecyl-1-(pyridin-1-ium-1-ylmethyl)pyrrolidin-1-ium-2-one CAS Name: 1-octadecyl-1-(1-pyridin-1-iumylmethyl)-2-pyrrolidin-1-iumone IUPAC Name: 1-octadecyl-1-(pyridin-1-ium-1-ylmethyl)pyrrolidin-1-ium-2-one Traditional Name: 1-(pyridin-1-ium-1-ylmethyl)-1-stearyl-pyrrolidin-1-ium-2-one Formula: C28H50N2O+2 MolecularWeight: 430.7094

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC[N+]1(CCCC1=O)C[N+]2=CC=CC=C2

Isomeric SMILES

CCCCCCCCCCCCCCCCCC[N+]1(CCCC1=O)C[N+]2=CC=CC=C2

InChI

InChI=1S/C28H50N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-25-30(26-21-22-28(30)31)27-29-23-18-17-19-24-29/h17-19,23-24H,2-16,20-22,25-27H2,1H3/q+2