2-[(2-chloranyl-5-methylsulfanyl-phenyl)carbonylamino]ethyl-di(propan-2-yl)azanium

Systemtic Name: 2-[(2-chloranyl-5-methylsulfanyl-phenyl)carbonylamino]ethyl-di(propan-2-yl)azanium Openeye Name: 2-[(2-chloro-5-methylsulfanyl-benzoyl)amino]ethyl-diisopropyl-ammonium CAS Name: 2-[[[2-chloro-5-(methylthio)phenyl]-oxomethyl]amino]ethyl-di(propan-2-yl)ammonium IUPAC Name: 2-[(2-chloro-5-methylsulfanylbenzoyl)amino]ethyl-di(propan-2-yl)azanium Traditional Name: 2-[[2-chloro-5-(methylthio)benzoyl]amino]ethyl-diisopropyl-ammonium Formula: C16H26ClN2OS+ MolecularWeight: 329.90844

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+](CCNC(=O)C1=C(C=CC(=C1)SC)Cl)C(C)C

Isomeric SMILES

CC(C)[NH+](CCNC(=O)C1=C(C=CC(=C1)SC)Cl)C(C)C

InChI

InChI=1S/C16H25ClN2OS/c1-11(2)19(12(3)4)9-8-18-16(20)14-10-13(21-5)6-7-15(14)17/h6-7,10-12H,8-9H2,1-5H3,(H,18,20)/p+1