1-(4-bromanyl-2,5-dimethyl-phenyl)sulfonyl-4-methyl-piperazin-4-ium

Systemtic Name: 1-(4-bromanyl-2,5-dimethyl-phenyl)sulfonyl-4-methyl-piperazin-4-ium Openeye Name: 1-(4-bromo-2,5-dimethyl-phenyl)sulfonyl-4-methyl-piperazin-4-ium CAS Name: 1-(4-bromo-2,5-dimethylphenyl)sulfonyl-4-methylpiperazin-4-ium IUPAC Name: 1-(4-bromo-2,5-dimethylphenyl)sulfonyl-4-methylpiperazin-4-ium Traditional Name: 1-(4-bromo-2,5-dimethyl-phenyl)sulfonyl-4-methyl-piperazin-4-ium Formula: C13H20BrN2O2S+ MolecularWeight: 348.2791

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Br)C)S(=O)(=O)N2CC[NH+](CC2)C

Isomeric SMILES

CC1=CC(=C(C=C1Br)C)S(=O)(=O)N2CC[NH+](CC2)C

InChI

InChI=1S/C13H19BrN2O2S/c1-10-9-13(11(2)8-12(10)14)19(17,18)16-6-4-15(3)5-7-16/h8-9H,4-7H2,1-3H3/p+1