2-cyanoethyl-ethyl-bis[2-[[(Z)-octadec-9-enoyl]amino]ethyl]azanium

Systemtic Name: 2-cyanoethyl-ethyl-bis[2-[[(Z)-octadec-9-enoyl]amino]ethyl]azanium Openeye Name: 2-cyanoethyl-ethyl-bis[2-[[(Z)-octadec-9-enoyl]amino]ethyl]ammonium CAS Name: 2-cyanoethyl-ethyl-bis[2-[[(Z)-1-oxooctadec-9-enyl]amino]ethyl]ammonium IUPAC Name: 2-cyanoethyl-ethyl-bis[2-[[(Z)-octadec-9-enoyl]amino]ethyl]azanium Traditional Name: 2-cyanoethyl-ethyl-bis[2-[[(Z)-octadec-9-enoyl]amino]ethyl]ammonium Formula: C45H85N4O2+ MolecularWeight: 714.182

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)NCC[N+](CC)(CCC#N)CCNC(=O)CCCCCCCC=CCCCCCCCC

Isomeric SMILES

CCCCCCCC/C=C\CCCCCCCC(=O)NCC[N+](CCNC(=O)CCCCCCC/C=C\CCCCCCCC)(CCC#N)CC

InChI

InChI=1S/C45H84N4O2/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/h19-22H,4-18,23-37,39-43H2,1-3H3,(H-,47,48,50,51)/p+1/b21-19-,22-20-