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

Systemtic Name: 2-[tert-butylcarbamoyl-[(5-chloranyl-2-ethylsulfonyloxy-phenyl)methyl]amino]ethyl-dimethyl-azanium Openeye Name: 2-[tert-butylcarbamoyl-[(5-chloro-2-ethylsulfonyloxy-phenyl)methyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[(tert-butylamino)-oxomethyl]-[(5-chloro-2-ethylsulfonyloxyphenyl)methyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[tert-butylcarbamoyl-[(5-chloro-2-ethylsulfonyloxyphenyl)methyl]amino]ethyl-dimethylazanium Traditional Name: 2-[tert-butylcarbamoyl-(5-chloro-2-esyloxy-benzyl)amino]ethyl-dimethyl-ammonium Formula: C18H31ClN3O4S+ MolecularWeight: 420.97444

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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)NC(C)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C18H30ClN3O4S/c1-7-27(24,25)26-16-9-8-15(19)12-14(16)13-22(11-10-21(5)6)17(23)20-18(2,3)4/h8-9,12H,7,10-11,13H2,1-6H3,(H,20,23)/p+1