5-methyl-2-piperazin-4-ium-1-yl-benzenesulfonate

Systemtic Name: 5-methyl-2-piperazin-4-ium-1-yl-benzenesulfonate Openeye Name: 5-methyl-2-piperazin-4-ium-1-yl-benzenesulfonate CAS Name: 5-methyl-2-(1-piperazin-4-iumyl)benzenesulfonate IUPAC Name: 5-methyl-2-piperazin-4-ium-1-ylbenzenesulfonate Traditional Name: 5-methyl-2-piperazin-4-ium-1-yl-besylate Formula: C11H16N2O3S MolecularWeight: 256.32134

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2CC[NH2+]CC2)S(=O)(=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)N2CC[NH2+]CC2)S(=O)(=O)[O-]

InChI

InChI=1S/C11H16N2O3S/c1-9-2-3-10(11(8-9)17(14,15)16)13-6-4-12-5-7-13/h2-3,8,12H,4-7H2,1H3,(H,14,15,16)