2-cyanoethyl-ethyl-(2-hydroxyethyl)-[2-(octadecanoylamino)ethyl]azanium

Systemtic Name: 2-cyanoethyl-ethyl-(2-hydroxyethyl)-[2-(octadecanoylamino)ethyl]azanium Openeye Name: 2-cyanoethyl-ethyl-(2-hydroxyethyl)-[2-(octadecanoylamino)ethyl]ammonium CAS Name: 2-cyanoethyl-ethyl-(2-hydroxyethyl)-[2-(1-oxooctadecylamino)ethyl]ammonium IUPAC Name: 2-cyanoethyl-ethyl-(2-hydroxyethyl)-[2-(octadecanoylamino)ethyl]azanium Traditional Name: 2-cyanoethyl-ethyl-(2-hydroxyethyl)-(2-stearamidoethyl)ammonium Formula: C27H54N3O2+ MolecularWeight: 452.73656

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)NCC[N+](CC)(CCC#N)CCO

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)NCC[N+](CC)(CCC#N)CCO

InChI

InChI=1S/C27H53N3O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-27(32)29-22-24-30(4-2,25-26-31)23-19-21-28/h31H,3-20,22-26H2,1-2H3/p+1