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

Systemtic Name: 1-(5-bromanyl-2-methyl-phenyl)sulfonyl-4-methyl-piperazin-4-ium Openeye Name: 1-(5-bromo-2-methyl-phenyl)sulfonyl-4-methyl-piperazin-4-ium CAS Name: 1-(5-bromo-2-methylphenyl)sulfonyl-4-methylpiperazin-4-ium IUPAC Name: 1-(5-bromo-2-methylphenyl)sulfonyl-4-methylpiperazin-4-ium Traditional Name: 1-(5-bromo-2-methyl-phenyl)sulfonyl-4-methyl-piperazin-4-ium Formula: C12H18BrN2O2S+ MolecularWeight: 334.25252

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Br)S(=O)(=O)N2CC[NH+](CC2)C

Isomeric SMILES

CC1=C(C=C(C=C1)Br)S(=O)(=O)N2CC[NH+](CC2)C

InChI

InChI=1S/C12H17BrN2O2S/c1-10-3-4-11(13)9-12(10)18(16,17)15-7-5-14(2)6-8-15/h3-4,9H,5-8H2,1-2H3/p+1