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

Systemtic Name: 2-cyanoethyl-ethyl-(2-hydroxyethyl)-[2-(16-methylheptadecanoylamino)ethyl]azanium; ethyl sulfate Openeye Name: 2-cyanoethyl-ethyl-(2-hydroxyethyl)-[2-(16-methylheptadecanoylamino)ethyl]ammonium; ethyl sulfate CAS Name: 2-cyanoethyl-ethyl-(2-hydroxyethyl)-[2-[(16-methyl-1-oxoheptadecyl)amino]ethyl]ammonium; ethyl sulfate IUPAC Name: 2-cyanoethyl-ethyl-(2-hydroxyethyl)-[2-(16-methylheptadecanoylamino)ethyl]azanium; ethyl sulfate Traditional Name: 2-cyanoethyl-ethyl-(2-hydroxyethyl)-[2-(16-methylheptadecanoylamino)ethyl]ammonium; ethyl sulfate Formula: C29H59N3O6S MolecularWeight: 577.86026

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H53N3O2.C2H6O4S/c1-4-30(24-25-31,22-17-20-28)23-21-29-27(32)19-16-14-12-10-8-6-5-7-9-11-13-15-18-26(2)3;1-2-6-7(3,4)5/h26,31H,4-19,21-25H2,1-3H3;2H2,1H3,(H,3,4,5)