1-[(3-chlorophenyl)methylsulfonyl]-4-methyl-piperazin-4-ium

Systemtic Name: 1-[(3-chlorophenyl)methylsulfonyl]-4-methyl-piperazin-4-ium Openeye Name: 1-[(3-chlorophenyl)methylsulfonyl]-4-methyl-piperazin-4-ium CAS Name: 1-[(3-chlorophenyl)methylsulfonyl]-4-methylpiperazin-4-ium IUPAC Name: 1-[(3-chlorophenyl)methylsulfonyl]-4-methylpiperazin-4-ium Traditional Name: 1-(3-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(=CC=C2)Cl

Isomeric SMILES

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

InChI

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