[4-[3-(2-chloroethylsulfanyl)propanoylamino]phenyl]-trimethyl-azanium

Systemtic Name: [4-[3-(2-chloroethylsulfanyl)propanoylamino]phenyl]-trimethyl-azanium Openeye Name: [4-[3-(2-chloroethylsulfanyl)propanoylamino]phenyl]-trimethyl-ammonium CAS Name: [4-[[3-(2-chloroethylthio)-1-oxopropyl]amino]phenyl]-trimethylammonium IUPAC Name: [4-[3-(2-chloroethylsulfanyl)propanoylamino]phenyl]-trimethylazanium Traditional Name: [4-[3-(2-chloroethylthio)propanoylamino]phenyl]-trimethyl-ammonium Formula: C14H22ClN2OS+ MolecularWeight: 301.85528

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)C1=CC=C(C=C1)NC(=O)CCSCCCl

Isomeric SMILES

C[N+](C)(C)C1=CC=C(C=C1)NC(=O)CCSCCCl

InChI

InChI=1S/C14H21ClN2OS/c1-17(2,3)13-6-4-12(5-7-13)16-14(18)8-10-19-11-9-15/h4-7H,8-11H2,1-3H3/p+1