2-cyanoethyl-[2-(2-cyanoethylamino)ethyl]-ethyl-[2-(octadecanoylamino)ethyl]azanium; ethyl sulfate

Systemtic Name: 2-cyanoethyl-[2-(2-cyanoethylamino)ethyl]-ethyl-[2-(octadecanoylamino)ethyl]azanium; ethyl sulfate Openeye Name: 2-cyanoethyl-[2-(2-cyanoethylamino)ethyl]-ethyl-[2-(octadecanoylamino)ethyl]ammonium; ethyl sulfate CAS Name: 2-cyanoethyl-[2-(2-cyanoethylamino)ethyl]-ethyl-[2-(1-oxooctadecylamino)ethyl]ammonium; ethyl sulfate IUPAC Name: 2-cyanoethyl-[2-(2-cyanoethylamino)ethyl]-ethyl-[2-(octadecanoylamino)ethyl]azanium; ethyl sulfate Traditional Name: 2-cyanoethyl-[2-(2-cyanoethylamino)ethyl]-ethyl-(2-stearamidoethyl)ammonium; ethyl sulfate Formula: C32H63N5O5S MolecularWeight: 629.93812

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)NCC[N+](CC)(CCC#N)CCNCCC#N.CCOS(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)NCC[N+](CC)(CCC#N)CCNCCC#N.CCOS(=O)(=O)[O-]

InChI

InChI=1S/C30H57N5O.C2H6O4S/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-30(36)34-26-29-35(4-2,27-20-23-32)28-25-33-24-19-22-31;1-2-6-7(3,4)5/h33H,3-21,24-29H2,1-2H3;2H2,1H3,(H,3,4,5)