2-[(2-fluorophenyl)carbonyl-[(4-propan-2-ylsulfonyloxyphenyl)methyl]amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[(2-fluorophenyl)carbonyl-[(4-propan-2-ylsulfonyloxyphenyl)methyl]amino]ethyl-dimethyl-azanium Openeye Name: 2-[(2-fluorobenzoyl)-[(4-isopropylsulfonyloxyphenyl)methyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[(2-fluorophenyl)-oxomethyl]-[(4-propan-2-ylsulfonyloxyphenyl)methyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[(2-fluorobenzoyl)-[(4-propan-2-ylsulfonyloxyphenyl)methyl]amino]ethyl-dimethylazanium Traditional Name: 2-[(2-fluorobenzoyl)-(4-isopropylsulfonyloxybenzyl)amino]ethyl-dimethyl-ammonium Formula: C21H28FN2O4S+ MolecularWeight: 423.521423

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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)C2=CC=CC=C2F

Isomeric SMILES

CC(C)S(=O)(=O)OC1=CC=C(C=C1)CN(CC[NH+](C)C)C(=O)C2=CC=CC=C2F

InChI

InChI=1S/C21H27FN2O4S/c1-16(2)29(26,27)28-18-11-9-17(10-12-18)15-24(14-13-23(3)4)21(25)19-7-5-6-8-20(19)22/h5-12,16H,13-15H2,1-4H3/p+1