1-[(3-bromophenyl)methyl]-4-ethylsulfonyl-piperazin-1-ium

Systemtic Name: 1-[(3-bromophenyl)methyl]-4-ethylsulfonyl-piperazin-1-ium Openeye Name: 1-[(3-bromophenyl)methyl]-4-ethylsulfonyl-piperazin-1-ium CAS Name: 1-[(3-bromophenyl)methyl]-4-ethylsulfonylpiperazin-1-ium IUPAC Name: 1-[(3-bromophenyl)methyl]-4-ethylsulfonylpiperazin-1-ium Traditional Name: 1-(3-bromobenzyl)-4-esyl-piperazin-1-ium Formula: C13H20BrN2O2S+ MolecularWeight: 348.2791

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CC[NH+](CC1)CC2=CC(=CC=C2)Br

Isomeric SMILES

CCS(=O)(=O)N1CC[NH+](CC1)CC2=CC(=CC=C2)Br

InChI

InChI=1S/C13H19BrN2O2S/c1-2-19(17,18)16-8-6-15(7-9-16)11-12-4-3-5-13(14)10-12/h3-5,10H,2,6-9,11H2,1H3/p+1