butyl-[3-[(E)-3-(4-chlorophenyl)prop-2-enoyl]oxy-2-oxidanyl-propyl]-diethyl-azanium iodide

Systemtic Name: butyl-[3-[(E)-3-(4-chlorophenyl)prop-2-enoyl]oxy-2-oxidanyl-propyl]-diethyl-azanium iodide Openeye Name: butyl-[3-[(E)-3-(4-chlorophenyl)prop-2-enoyl]oxy-2-hydroxy-propyl]-diethyl-ammonium iodide CAS Name: butyl-[3-[(E)-3-(4-chlorophenyl)-1-oxoprop-2-enoxy]-2-hydroxypropyl]-diethylammonium iodide IUPAC Name: butyl-[3-[(E)-3-(4-chlorophenyl)prop-2-enoyl]oxy-2-hydroxypropyl]-diethylazanium iodide Traditional Name: butyl-[3-[(E)-3-(4-chlorophenyl)acryloyl]oxy-2-hydroxy-propyl]-diethyl-ammonium iodide Formula: C20H31ClINO3 MolecularWeight: 495.82251

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H31ClNO3.HI/c1-4-7-14-22(5-2,6-3)15-19(23)16-25-20(24)13-10-17-8-11-18(21)12-9-17;/h8-13,19,23H,4-7,14-16H2,1-3H3;1H/q+1;/p-1/b13-10+;