N-octadecyl-2-pyridin-1-ium-1-yl-ethanimidate

Systemtic Name: N-octadecyl-2-pyridin-1-ium-1-yl-ethanimidate Openeye Name: N-octadecyl-2-pyridin-1-ium-1-yl-ethanimidate CAS Name: N-octadecyl-2-(1-pyridin-1-iumyl)ethanimidate IUPAC Name: N-octadecyl-2-pyridin-1-ium-1-ylethanimidate Traditional Name: 2-pyridin-1-ium-1-yl-N-stearyl-acetimidate Formula: C25H44N2O MolecularWeight: 388.62966

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCN=C(C[N+]1=CC=CC=C1)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCN=C(C[N+]1=CC=CC=C1)[O-]

InChI

InChI=1S/C25H44N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21-26-25(28)24-27-22-19-17-20-23-27/h17,19-20,22-23H,2-16,18,21,24H2,1H3