2-(2-pyridin-1-ium-1-ylethanoylamino)ethyl octadecanoate

Systemtic Name: 2-(2-pyridin-1-ium-1-ylethanoylamino)ethyl octadecanoate Openeye Name: 2-[(2-pyridin-1-ium-1-ylacetyl)amino]ethyl octadecanoate CAS Name: octadecanoic acid 2-[[1-oxo-2-(1-pyridin-1-iumyl)ethyl]amino]ethyl ester IUPAC Name: 2-[(2-pyridin-1-ium-1-ylacetyl)amino]ethyl octadecanoate Traditional Name: stearic acid 2-[(2-pyridin-1-ium-1-ylacetyl)amino]ethyl ester Formula: C27H47N2O3+ MolecularWeight: 447.67368

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OCCNC(=O)C[N+]1=CC=CC=C1

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OCCNC(=O)C[N+]1=CC=CC=C1

InChI

InChI=1S/C27H46N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-20-27(31)32-24-21-28-26(30)25-29-22-18-16-19-23-29/h16,18-19,22-23H,2-15,17,20-21,24-25H2,1H3/p+1