2-cyanoethyl-ethyl-bis[2-(16-methylheptadecanoylamino)ethyl]azanium; ethyl sulfate

Systemtic Name: 2-cyanoethyl-ethyl-bis[2-(16-methylheptadecanoylamino)ethyl]azanium; ethyl sulfate Openeye Name: 2-cyanoethyl-ethyl-bis[2-(16-methylheptadecanoylamino)ethyl]ammonium; ethyl sulfate CAS Name: 2-cyanoethyl-ethyl-bis[2-[(16-methyl-1-oxoheptadecyl)amino]ethyl]ammonium; ethyl sulfate IUPAC Name: 2-cyanoethyl-ethyl-bis[2-(16-methylheptadecanoylamino)ethyl]azanium; ethyl sulfate Traditional Name: 2-cyanoethyl-ethyl-bis[2-(16-methylheptadecanoylamino)ethyl]ammonium; ethyl sulfate Formula: C47H94N4O6S MolecularWeight: 843.33746

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+](CCC#N)(CCNC(=O)CCCCCCCCCCCCCCC(C)C)CCNC(=O)CCCCCCCCCCCCCCC(C)C.CCOS(=O)(=O)[O-]

Isomeric SMILES

CC[N+](CCC#N)(CCNC(=O)CCCCCCCCCCCCCCC(C)C)CCNC(=O)CCCCCCCCCCCCCCC(C)C.CCOS(=O)(=O)[O-]

InChI

InChI=1S/C45H88N4O2.C2H6O4S/c1-6-49(39-31-36-46,40-37-47-44(50)34-29-25-21-17-13-9-7-11-15-19-23-27-32-42(2)3)41-38-48-45(51)35-30-26-22-18-14-10-8-12-16-20-24-28-33-43(4)5;1-2-6-7(3,4)5/h42-43H,6-35,37-41H2,1-5H3,(H-,47,48,50,51);2H2,1H3,(H,3,4,5)