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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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