1-(2,5-dimethylphenyl)sulfonyl-4-methyl-piperazin-4-ium

Systemtic Name: 1-(2,5-dimethylphenyl)sulfonyl-4-methyl-piperazin-4-ium Openeye Name: 1-(2,5-dimethylphenyl)sulfonyl-4-methyl-piperazin-4-ium CAS Name: 1-(2,5-dimethylphenyl)sulfonyl-4-methylpiperazin-4-ium IUPAC Name: 1-(2,5-dimethylphenyl)sulfonyl-4-methylpiperazin-4-ium Traditional Name: 1-(2,5-dimethylphenyl)sulfonyl-4-methyl-piperazin-4-ium Formula: C13H21N2O2S+ MolecularWeight: 269.38304

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H20N2O2S/c1-11-4-5-12(2)13(10-11)18(16,17)15-8-6-14(3)7-9-15/h4-5,10H,6-9H2,1-3H3/p+1