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

Systemtic Name: 1-[(3-chlorophenyl)methylsulfonyl]-4-ethyl-piperazin-4-ium Openeye Name: 1-[(3-chlorophenyl)methylsulfonyl]-4-ethyl-piperazin-4-ium CAS Name: 1-[(3-chlorophenyl)methylsulfonyl]-4-ethylpiperazin-4-ium IUPAC Name: 1-[(3-chlorophenyl)methylsulfonyl]-4-ethylpiperazin-4-ium Traditional Name: 1-(3-chlorobenzyl)sulfonyl-4-ethyl-piperazin-4-ium Formula: C13H20ClN2O2S+ MolecularWeight: 303.8281

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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