2-[4-[[2-(4-chlorophenyl)ethylcarbamothioylamino]methyl]-2-methoxy-phenoxy]ethyl-trimethyl-azanium

Systemtic Name: 2-[4-[[2-(4-chlorophenyl)ethylcarbamothioylamino]methyl]-2-methoxy-phenoxy]ethyl-trimethyl-azanium Openeye Name: 2-[4-[[2-(4-chlorophenyl)ethylcarbamothioylamino]methyl]-2-methoxy-phenoxy]ethyl-trimethyl-ammonium CAS Name: 2-[4-[[[[2-(4-chlorophenyl)ethylamino]-sulfanylidenemethyl]amino]methyl]-2-methoxyphenoxy]ethyl-trimethylammonium IUPAC Name: 2-[4-[[2-(4-chlorophenyl)ethylcarbamothioylamino]methyl]-2-methoxyphenoxy]ethyl-trimethylazanium Traditional Name: 2-[4-[[2-(4-chlorophenyl)ethylthiocarbamoylamino]methyl]-2-methoxy-phenoxy]ethyl-trimethyl-ammonium Formula: C22H31ClN3O2S+ MolecularWeight: 437.01844

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CCOC1=C(C=C(C=C1)CNC(=S)NCCC2=CC=C(C=C2)Cl)OC

Isomeric SMILES

C[N+](C)(C)CCOC1=C(C=C(C=C1)CNC(=S)NCCC2=CC=C(C=C2)Cl)OC

InChI

InChI=1S/C22H30ClN3O2S/c1-26(2,3)13-14-28-20-10-7-18(15-21(20)27-4)16-25-22(29)24-12-11-17-5-8-19(23)9-6-17/h5-10,15H,11-14,16H2,1-4H3,(H-,24,25,29)/p+1