(4-fluorophenyl)methyl-[[3-(4-methoxyphenyl)sulfonyloxyphenyl]methyl]azanium

Systemtic Name: (4-fluorophenyl)methyl-[[3-(4-methoxyphenyl)sulfonyloxyphenyl]methyl]azanium Openeye Name: (4-fluorophenyl)methyl-[[3-(4-methoxyphenyl)sulfonyloxyphenyl]methyl]ammonium CAS Name: (4-fluorophenyl)methyl-[[3-(4-methoxyphenyl)sulfonyloxyphenyl]methyl]ammonium IUPAC Name: (4-fluorophenyl)methyl-[[3-(4-methoxyphenyl)sulfonyloxyphenyl]methyl]azanium Traditional Name: (4-fluorobenzyl)-[3-(4-methoxyphenyl)sulfonyloxybenzyl]ammonium Formula: C21H21FNO4S+ MolecularWeight: 402.459143

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC(=C2)C[NH2+]CC3=CC=C(C=C3)F

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC(=C2)C[NH2+]CC3=CC=C(C=C3)F

InChI

InChI=1S/C21H20FNO4S/c1-26-19-9-11-21(12-10-19)28(24,25)27-20-4-2-3-17(13-20)15-23-14-16-5-7-18(22)8-6-16/h2-13,23H,14-15H2,1H3/p+1