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

Systemtic Name: 2-cyanoethyl-ethyl-bis[2-[[(Z)-octadec-9-enoyl]amino]ethyl]azanium; ethyl sulfate Openeye Name: 2-cyanoethyl-ethyl-bis[2-[[(Z)-octadec-9-enoyl]amino]ethyl]ammonium; ethyl sulfate CAS Name: 2-cyanoethyl-ethyl-bis[2-[[(Z)-1-oxooctadec-9-enyl]amino]ethyl]ammonium; ethyl sulfate IUPAC Name: 2-cyanoethyl-ethyl-bis[2-[[(Z)-octadec-9-enoyl]amino]ethyl]azanium; ethyl sulfate Traditional Name: 2-cyanoethyl-ethyl-bis[2-[[(Z)-octadec-9-enoyl]amino]ethyl]ammonium; ethyl sulfate Formula: C47H90N4O6S MolecularWeight: 839.3057

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C45H84N4O2.C2H6O4S/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;1-2-6-7(3,4)5/h19-22H,4-18,23-37,39-43H2,1-3H3,(H-,47,48,50,51);2H2,1H3,(H,3,4,5)/b21-19-,22-20-;