butyl-diethyl-[2-oxidanyl-3-[(E)-3-phenylprop-2-enoyl]oxy-propyl]azanium iodide

Systemtic Name: butyl-diethyl-[2-oxidanyl-3-[(E)-3-phenylprop-2-enoyl]oxy-propyl]azanium iodide Openeye Name: butyl-diethyl-[2-hydroxy-3-[(E)-3-phenylprop-2-enoyl]oxy-propyl]ammonium iodide CAS Name: butyl-diethyl-[2-hydroxy-3-[(E)-1-oxo-3-phenylprop-2-enoxy]propyl]ammonium iodide IUPAC Name: butyl-diethyl-[2-hydroxy-3-[(E)-3-phenylprop-2-enoyl]oxypropyl]azanium iodide Traditional Name: butyl-diethyl-[2-hydroxy-3-[(E)-3-phenylacryloyl]oxy-propyl]ammonium iodide Formula: C20H32INO3 MolecularWeight: 461.37745

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+](CC)(CC)CC(COC(=O)C=CC1=CC=CC=C1)O.[I-]

Isomeric SMILES

CCCC[N+](CC)(CC)CC(COC(=O)/C=C/C1=CC=CC=C1)O.[I-]

InChI

InChI=1S/C20H32NO3.HI/c1-4-7-15-21(5-2,6-3)16-19(22)17-24-20(23)14-13-18-11-9-8-10-12-18;/h8-14,19,22H,4-7,15-17H2,1-3H3;1H/q+1;/p-1/b14-13+;