1-ethyl-4-[(3-methylphenyl)methylsulfonyl]piperazin-1-ium

Systemtic Name: 1-ethyl-4-[(3-methylphenyl)methylsulfonyl]piperazin-1-ium Openeye Name: 1-ethyl-4-(m-tolylmethylsulfonyl)piperazin-1-ium CAS Name: 1-ethyl-4-[(3-methylphenyl)methylsulfonyl]piperazin-1-ium IUPAC Name: 1-ethyl-4-[(3-methylphenyl)methylsulfonyl]piperazin-1-ium Traditional Name: 1-ethyl-4-(3-methylbenzyl)sulfonyl-piperazin-1-ium Formula: C14H23N2O2S+ MolecularWeight: 283.40962

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H22N2O2S/c1-3-15-7-9-16(10-8-15)19(17,18)12-14-6-4-5-13(2)11-14/h4-6,11H,3,7-10,12H2,1-2H3/p+1