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

Systemtic Name: 2-cyanoethyl-ethyl-bis[2-(octadecanoylamino)ethyl]azanium Openeye Name: 2-cyanoethyl-ethyl-bis[2-(octadecanoylamino)ethyl]ammonium CAS Name: 2-cyanoethyl-ethyl-bis[2-(1-oxooctadecylamino)ethyl]ammonium IUPAC Name: 2-cyanoethyl-ethyl-bis[2-(octadecanoylamino)ethyl]azanium Traditional Name: 2-cyanoethyl-ethyl-bis(2-stearamidoethyl)ammonium Formula: C45H89N4O2+ MolecularWeight: 718.21376

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C45H88N4O2/c1-4-7-9-11-13-15-17-19-21-23-25-27-29-31-33-36-44(50)47-39-42-49(6-3,41-35-38-46)43-40-48-45(51)37-34-32-30-28-26-24-22-20-18-16-14-12-10-8-5-2/h4-37,39-43H2,1-3H3,(H-,47,48,50,51)/p+1