1-[(4-bromophenyl)methylsulfonyl]-4-ethyl-piperazin-4-ium

Systemtic Name: 1-[(4-bromophenyl)methylsulfonyl]-4-ethyl-piperazin-4-ium Openeye Name: 1-[(4-bromophenyl)methylsulfonyl]-4-ethyl-piperazin-4-ium CAS Name: 1-[(4-bromophenyl)methylsulfonyl]-4-ethylpiperazin-4-ium IUPAC Name: 1-[(4-bromophenyl)methylsulfonyl]-4-ethylpiperazin-4-ium Traditional Name: 1-(4-bromobenzyl)sulfonyl-4-ethyl-piperazin-4-ium Formula: C13H20BrN2O2S+ MolecularWeight: 348.2791

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)S(=O)(=O)CC2=CC=C(C=C2)Br

Isomeric SMILES

CC[NH+]1CCN(CC1)S(=O)(=O)CC2=CC=C(C=C2)Br

InChI

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