1-methyl-4-(3-methylphenyl)sulfonyl-piperazin-1-ium

Systemtic Name: 1-methyl-4-(3-methylphenyl)sulfonyl-piperazin-1-ium Openeye Name: 1-methyl-4-(m-tolylsulfonyl)piperazin-1-ium CAS Name: 1-methyl-4-(3-methylphenyl)sulfonylpiperazin-1-ium IUPAC Name: 1-methyl-4-(3-methylphenyl)sulfonylpiperazin-1-ium Traditional Name: 1-methyl-4-(m-tolylsulfonyl)piperazin-1-ium Formula: C12H19N2O2S+ MolecularWeight: 255.35646

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H18N2O2S/c1-11-4-3-5-12(10-11)17(15,16)14-8-6-13(2)7-9-14/h3-5,10H,6-9H2,1-2H3/p+1