1-[(3-hexadecylpyridin-1-ium-1-yl)methyl]pyrrolidin-2-one

Systemtic Name: 1-[(3-hexadecylpyridin-1-ium-1-yl)methyl]pyrrolidin-2-one Openeye Name: 1-[(3-hexadecylpyridin-1-ium-1-yl)methyl]pyrrolidin-2-one CAS Name: 1-[(3-hexadecyl-1-pyridin-1-iumyl)methyl]-2-pyrrolidinone IUPAC Name: 1-[(3-hexadecylpyridin-1-ium-1-yl)methyl]pyrrolidin-2-one Traditional Name: 1-[(3-cetylpyridin-1-ium-1-yl)methyl]-2-pyrrolidone Formula: C26H45N2O+ MolecularWeight: 401.6483

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC1=C[N+](=CC=C1)CN2CCCC2=O

Isomeric SMILES

CCCCCCCCCCCCCCCCC1=C[N+](=CC=C1)CN2CCCC2=O

InChI

InChI=1S/C26H45N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-25-19-16-21-27(23-25)24-28-22-17-20-26(28)29/h16,19,21,23H,2-15,17-18,20,22,24H2,1H3/q+1