1-[(2-chlorophenyl)methylsulfonyl]-4-ethyl-piperazin-4-ium

Systemtic Name: 1-[(2-chlorophenyl)methylsulfonyl]-4-ethyl-piperazin-4-ium Openeye Name: 1-[(2-chlorophenyl)methylsulfonyl]-4-ethyl-piperazin-4-ium CAS Name: 1-[(2-chlorophenyl)methylsulfonyl]-4-ethylpiperazin-4-ium IUPAC Name: 1-[(2-chlorophenyl)methylsulfonyl]-4-ethylpiperazin-4-ium Traditional Name: 1-(2-chlorobenzyl)sulfonyl-4-ethyl-piperazin-4-ium Formula: C13H20ClN2O2S+ MolecularWeight: 303.8281

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)S(=O)(=O)CC2=CC=CC=C2Cl

Isomeric SMILES

CC[NH+]1CCN(CC1)S(=O)(=O)CC2=CC=CC=C2Cl

InChI

InChI=1S/C13H19ClN2O2S/c1-2-15-7-9-16(10-8-15)19(17,18)11-12-5-3-4-6-13(12)14/h3-6H,2,7-11H2,1H3/p+1