2-[(5-chloranyl-2-ethylsulfonyloxy-phenyl)methyl-(2-methylpropanoyl)amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[(5-chloranyl-2-ethylsulfonyloxy-phenyl)methyl-(2-methylpropanoyl)amino]ethyl-dimethyl-azanium Openeye Name: 2-[(5-chloro-2-ethylsulfonyloxy-phenyl)methyl-(2-methylpropanoyl)amino]ethyl-dimethyl-ammonium CAS Name: 2-[(5-chloro-2-ethylsulfonyloxyphenyl)methyl-(2-methyl-1-oxopropyl)amino]ethyl-dimethylammonium IUPAC Name: 2-[(5-chloro-2-ethylsulfonyloxyphenyl)methyl-(2-methylpropanoyl)amino]ethyl-dimethylazanium Traditional Name: 2-[(5-chloro-2-esyloxy-benzyl)-isobutyryl-amino]ethyl-dimethyl-ammonium Formula: C17H28ClN2O4S+ MolecularWeight: 391.93322

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)OC1=C(C=C(C=C1)Cl)CN(CC[NH+](C)C)C(=O)C(C)C

Isomeric SMILES

CCS(=O)(=O)OC1=C(C=C(C=C1)Cl)CN(CC[NH+](C)C)C(=O)C(C)C

InChI

InChI=1S/C17H27ClN2O4S/c1-6-25(22,23)24-16-8-7-15(18)11-14(16)12-20(10-9-19(4)5)17(21)13(2)3/h7-8,11,13H,6,9-10,12H2,1-5H3/p+1