2-[tert-butylcarbamoyl-[(4-propan-2-ylsulfonyloxyphenyl)methyl]amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[tert-butylcarbamoyl-[(4-propan-2-ylsulfonyloxyphenyl)methyl]amino]ethyl-dimethyl-azanium Openeye Name: 2-[tert-butylcarbamoyl-[(4-isopropylsulfonyloxyphenyl)methyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[(tert-butylamino)-oxomethyl]-[(4-propan-2-ylsulfonyloxyphenyl)methyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[tert-butylcarbamoyl-[(4-propan-2-ylsulfonyloxyphenyl)methyl]amino]ethyl-dimethylazanium Traditional Name: 2-[tert-butylcarbamoyl-(4-isopropylsulfonyloxybenzyl)amino]ethyl-dimethyl-ammonium Formula: C19H34N3O4S+ MolecularWeight: 400.55596

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H33N3O4S/c1-15(2)27(24,25)26-17-10-8-16(9-11-17)14-22(13-12-21(6)7)18(23)20-19(3,4)5/h8-11,15H,12-14H2,1-7H3,(H,20,23)/p+1