(3-methylsulfonylphenyl)-piperazin-4-ium-1-yl-methanone

Systemtic Name: (3-methylsulfonylphenyl)-piperazin-4-ium-1-yl-methanone Openeye Name: (3-methylsulfonylphenyl)-piperazin-4-ium-1-yl-methanone CAS Name: (3-methylsulfonylphenyl)-(1-piperazin-4-iumyl)methanone IUPAC Name: (3-methylsulfonylphenyl)-piperazin-4-ium-1-ylmethanone Traditional Name: (3-mesylphenyl)-piperazin-4-ium-1-yl-methanone Formula: C12H17N2O3S+ MolecularWeight: 269.33998

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC(=C1)C(=O)N2CC[NH2+]CC2

Isomeric SMILES

CS(=O)(=O)C1=CC=CC(=C1)C(=O)N2CC[NH2+]CC2

InChI

InChI=1S/C12H16N2O3S/c1-18(16,17)11-4-2-3-10(9-11)12(15)14-7-5-13-6-8-14/h2-4,9,13H,5-8H2,1H3/p+1