[4-[4-(2-chloroethylsulfanyl)butanoylamino]phenyl]-trimethyl-azanium iodide

Systemtic Name: [4-[4-(2-chloroethylsulfanyl)butanoylamino]phenyl]-trimethyl-azanium iodide Openeye Name: [4-[4-(2-chloroethylsulfanyl)butanoylamino]phenyl]-trimethyl-ammonium iodide CAS Name: [4-[[4-(2-chloroethylthio)-1-oxobutyl]amino]phenyl]-trimethylammonium iodide IUPAC Name: [4-[4-(2-chloroethylsulfanyl)butanoylamino]phenyl]-trimethylazanium iodide Traditional Name: [4-[4-(2-chloroethylthio)butanoylamino]phenyl]-trimethyl-ammonium iodide Formula: C15H24ClIN2OS MolecularWeight: 442.78633

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)C1=CC=C(C=C1)NC(=O)CCCSCCCl.[I-]

Isomeric SMILES

C[N+](C)(C)C1=CC=C(C=C1)NC(=O)CCCSCCCl.[I-]

InChI

InChI=1S/C15H23ClN2OS.HI/c1-18(2,3)14-8-6-13(7-9-14)17-15(19)5-4-11-20-12-10-16;/h6-9H,4-5,10-12H2,1-3H3;1H