2-[(3-fluorophenyl)carbonyl-[(4-propan-2-ylsulfonyloxyphenyl)methyl]amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[(3-fluorophenyl)carbonyl-[(4-propan-2-ylsulfonyloxyphenyl)methyl]amino]ethyl-dimethyl-azanium Openeye Name: 2-[(3-fluorobenzoyl)-[(4-isopropylsulfonyloxyphenyl)methyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[(3-fluorophenyl)-oxomethyl]-[(4-propan-2-ylsulfonyloxyphenyl)methyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[(3-fluorobenzoyl)-[(4-propan-2-ylsulfonyloxyphenyl)methyl]amino]ethyl-dimethylazanium Traditional Name: 2-[(3-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=C2)F

Isomeric SMILES

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

InChI

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