1-(2-bromanyl-4-methylsulfonyl-phenyl)piperazin-4-ium

Systemtic Name: 1-(2-bromanyl-4-methylsulfonyl-phenyl)piperazin-4-ium Openeye Name: 1-(2-bromo-4-methylsulfonyl-phenyl)piperazin-4-ium CAS Name: 1-(2-bromo-4-methylsulfonylphenyl)piperazin-4-ium IUPAC Name: 1-(2-bromo-4-methylsulfonylphenyl)piperazin-4-ium Traditional Name: 1-(2-bromo-4-mesyl-phenyl)piperazin-4-ium Formula: C11H16BrN2O2S+ MolecularWeight: 320.22594

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)N2CC[NH2+]CC2)Br

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)N2CC[NH2+]CC2)Br

InChI

InChI=1S/C11H15BrN2O2S/c1-17(15,16)9-2-3-11(10(12)8-9)14-6-4-13-5-7-14/h2-3,8,13H,4-7H2,1H3/p+1