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

Systemtic Name: (2-bromophenyl)methyl-[2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]-methyl-azanium Openeye Name: (2-bromophenyl)methyl-[2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxo-ethyl]-methyl-ammonium CAS Name: (2-bromophenyl)methyl-[2-[4-(4-fluorophenyl)sulfonyl-1-piperazinyl]-2-oxoethyl]-methylammonium IUPAC Name: (2-bromophenyl)methyl-[2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-methylazanium Traditional Name: (2-bromobenzyl)-[2-[4-(4-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=C(C=C3)F

Isomeric SMILES

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

InChI

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