1-(3-bromophenyl)sulfonyl-4-propan-2-yl-piperazin-4-ium

Systemtic Name: 1-(3-bromophenyl)sulfonyl-4-propan-2-yl-piperazin-4-ium Openeye Name: 1-(3-bromophenyl)sulfonyl-4-isopropyl-piperazin-4-ium CAS Name: 1-(3-bromophenyl)sulfonyl-4-propan-2-ylpiperazin-4-ium IUPAC Name: 1-(3-bromophenyl)sulfonyl-4-propan-2-ylpiperazin-4-ium Traditional Name: 1-(3-bromophenyl)sulfonyl-4-isopropyl-piperazin-4-ium Formula: C13H20BrN2O2S+ MolecularWeight: 348.2791

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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