triethyl-[2-[(E)-4-octoxy-4-oxidanylidene-but-2-enoyl]oxyethyl]azanium bromide

Systemtic Name: triethyl-[2-[(E)-4-octoxy-4-oxidanylidene-but-2-enoyl]oxyethyl]azanium bromide Openeye Name: triethyl-[2-[(E)-4-octoxy-4-oxo-but-2-enoyl]oxyethyl]ammonium bromide CAS Name: triethyl-[2-[(E)-4-octoxy-1,4-dioxobut-2-enoxy]ethyl]ammonium bromide IUPAC Name: triethyl-[2-[(E)-4-octoxy-4-oxobut-2-enoyl]oxyethyl]azanium bromide Traditional Name: triethyl-[2-[(E)-4-keto-4-octoxy-but-2-enoyl]oxyethyl]ammonium bromide Formula: C20H38BrNO4 MolecularWeight: 436.42402

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(=O)C=CC(=O)OCC[N+](CC)(CC)CC.[Br-]

Isomeric SMILES

CCCCCCCCOC(=O)/C=C/C(=O)OCC[N+](CC)(CC)CC.[Br-]

InChI

InChI=1S/C20H38NO4.BrH/c1-5-9-10-11-12-13-17-24-19(22)14-15-20(23)25-18-16-21(6-2,7-3)8-4;/h14-15H,5-13,16-18H2,1-4H3;1H/q+1;/p-1/b15-14+;