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

Systemtic Name: 2-[(5-chloranyl-2-ethylsulfonyloxy-phenyl)methyl-cyclobutylcarbonyl-amino]ethyl-dimethyl-azanium Openeye Name: 2-[(5-chloro-2-ethylsulfonyloxy-phenyl)methyl-(cyclobutanecarbonyl)amino]ethyl-dimethyl-ammonium CAS Name: 2-[(5-chloro-2-ethylsulfonyloxyphenyl)methyl-[cyclobutyl(oxo)methyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[(5-chloro-2-ethylsulfonyloxyphenyl)methyl-(cyclobutanecarbonyl)amino]ethyl-dimethylazanium Traditional Name: 2-[(5-chloro-2-esyloxy-benzyl)-(cyclobutanecarbonyl)amino]ethyl-dimethyl-ammonium Formula: C18H28ClN2O4S+ MolecularWeight: 403.94392

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)OC1=C(C=C(C=C1)Cl)CN(CC[NH+](C)C)C(=O)C2CCC2

Isomeric SMILES

CCS(=O)(=O)OC1=C(C=C(C=C1)Cl)CN(CC[NH+](C)C)C(=O)C2CCC2

InChI

InChI=1S/C18H27ClN2O4S/c1-4-26(23,24)25-17-9-8-16(19)12-15(17)13-21(11-10-20(2)3)18(22)14-6-5-7-14/h8-9,12,14H,4-7,10-11,13H2,1-3H3/p+1