1-(3-chlorophenyl)sulfonyl-4-ethyl-piperazin-4-ium

Systemtic Name: 1-(3-chlorophenyl)sulfonyl-4-ethyl-piperazin-4-ium Openeye Name: 1-(3-chlorophenyl)sulfonyl-4-ethyl-piperazin-4-ium CAS Name: 1-(3-chlorophenyl)sulfonyl-4-ethylpiperazin-4-ium IUPAC Name: 1-(3-chlorophenyl)sulfonyl-4-ethylpiperazin-4-ium Traditional Name: 1-(3-chlorophenyl)sulfonyl-4-ethyl-piperazin-4-ium Formula: C12H18ClN2O2S+ MolecularWeight: 289.80152

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17ClN2O2S/c1-2-14-6-8-15(9-7-14)18(16,17)12-5-3-4-11(13)10-12/h3-5,10H,2,6-9H2,1H3/p+1