(2-bromophenyl)methyl-[2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]-methyl-azanium

Systemtic Name: (2-bromophenyl)methyl-[2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]-methyl-azanium Openeye Name: (2-bromophenyl)methyl-[2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxo-ethyl]-methyl-ammonium CAS Name: (2-bromophenyl)methyl-[2-[4-(3-fluorophenyl)sulfonyl-1-piperazinyl]-2-oxoethyl]-methylammonium IUPAC Name: (2-bromophenyl)methyl-[2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-methylazanium Traditional Name: (2-bromobenzyl)-[2-[4-(3-fluorophenyl)sulfonylpiperazino]-2-keto-ethyl]-methyl-ammonium Formula: C20H24BrFN3O3S+ MolecularWeight: 485.390263

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=CC=C1Br)CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)F

Isomeric SMILES

C[NH+](CC1=CC=CC=C1Br)CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)F

InChI

InChI=1S/C20H23BrFN3O3S/c1-23(14-16-5-2-3-8-19(16)21)15-20(26)24-9-11-25(12-10-24)29(27,28)18-7-4-6-17(22)13-18/h2-8,13H,9-12,14-15H2,1H3/p+1