2-(4-bromophenyl)sulfonylethyl-[(3-fluoranyl-4-methoxy-phenyl)methyl]-methyl-azanium

Systemtic Name: 2-(4-bromophenyl)sulfonylethyl-[(3-fluoranyl-4-methoxy-phenyl)methyl]-methyl-azanium Openeye Name: 2-(4-bromophenyl)sulfonylethyl-[(3-fluoro-4-methoxy-phenyl)methyl]-methyl-ammonium CAS Name: 2-(4-bromophenyl)sulfonylethyl-[(3-fluoro-4-methoxyphenyl)methyl]-methylammonium IUPAC Name: 2-(4-bromophenyl)sulfonylethyl-[(3-fluoro-4-methoxyphenyl)methyl]-methylazanium Traditional Name: 2-brosylethyl-(3-fluoro-4-methoxy-benzyl)-methyl-ammonium Formula: C17H20BrFNO3S+ MolecularWeight: 417.313003

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCS(=O)(=O)C1=CC=C(C=C1)Br)CC2=CC(=C(C=C2)OC)F

Isomeric SMILES

C[NH+](CCS(=O)(=O)C1=CC=C(C=C1)Br)CC2=CC(=C(C=C2)OC)F

InChI

InChI=1S/C17H19BrFNO3S/c1-20(12-13-3-8-17(23-2)16(19)11-13)9-10-24(21,22)15-6-4-14(18)5-7-15/h3-8,11H,9-10,12H2,1-2H3/p+1