2-[2,3-bis(1-chloroethyl)phenyl]carbonyloxyethyl-trimethyl-azanium iodide

Systemtic Name: 2-[2,3-bis(1-chloroethyl)phenyl]carbonyloxyethyl-trimethyl-azanium iodide Openeye Name: 2-[2,3-bis(1-chloroethyl)benzoyl]oxyethyl-trimethyl-ammonium iodide CAS Name: 2-[[2,3-bis(1-chloroethyl)phenyl]-oxomethoxy]ethyl-trimethylammonium iodide IUPAC Name: 2-[2,3-bis(1-chloroethyl)benzoyl]oxyethyl-trimethylazanium iodide Traditional Name: 2-[2,3-bis(1-chloroethyl)benzoyl]oxyethyl-trimethyl-ammonium iodide Formula: C16H24Cl2INO2 MolecularWeight: 460.17773

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC(=C1C(C)Cl)C(=O)OCC[N+](C)(C)C)Cl.[I-]

Isomeric SMILES

CC(C1=CC=CC(=C1C(C)Cl)C(=O)OCC[N+](C)(C)C)Cl.[I-]

InChI

InChI=1S/C16H24Cl2NO2.HI/c1-11(17)13-7-6-8-14(15(13)12(2)18)16(20)21-10-9-19(3,4)5;/h6-8,11-12H,9-10H2,1-5H3;1H/q+1;/p-1