1-ethyl-4-(phenylmethyl)sulfonyl-piperazin-1-ium

Systemtic Name: 1-ethyl-4-(phenylmethyl)sulfonyl-piperazin-1-ium Openeye Name: 1-benzylsulfonyl-4-ethyl-piperazin-4-ium CAS Name: 1-ethyl-4-(phenylmethyl)sulfonylpiperazin-1-ium IUPAC Name: 1-benzylsulfonyl-4-ethylpiperazin-4-ium Traditional Name: 1-benzylsulfonyl-4-ethyl-piperazin-4-ium Formula: C13H21N2O2S+ MolecularWeight: 269.38304

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H20N2O2S/c1-2-14-8-10-15(11-9-14)18(16,17)12-13-6-4-3-5-7-13/h3-7H,2,8-12H2,1H3/p+1