1-[(4-chlorophenyl)methylsulfonyl]-4-methyl-piperazin-4-ium

Systemtic Name: 1-[(4-chlorophenyl)methylsulfonyl]-4-methyl-piperazin-4-ium Openeye Name: 1-[(4-chlorophenyl)methylsulfonyl]-4-methyl-piperazin-4-ium CAS Name: 1-[(4-chlorophenyl)methylsulfonyl]-4-methylpiperazin-4-ium IUPAC Name: 1-[(4-chlorophenyl)methylsulfonyl]-4-methylpiperazin-4-ium Traditional Name: 1-(4-chlorobenzyl)sulfonyl-4-methyl-piperazin-4-ium Formula: C12H18ClN2O2S+ MolecularWeight: 289.80152

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)CC2=CC=C(C=C2)Cl

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)CC2=CC=C(C=C2)Cl

InChI

InChI=1S/C12H17ClN2O2S/c1-14-6-8-15(9-7-14)18(16,17)10-11-2-4-12(13)5-3-11/h2-5H,6-10H2,1H3/p+1