1-(phenylsulfonyl)-4-propyl-piperazin-4-ium

Systemtic Name: 1-(phenylsulfonyl)-4-propyl-piperazin-4-ium Openeye Name: 1-(benzenesulfonyl)-4-propyl-piperazin-4-ium CAS Name: 1-(benzenesulfonyl)-4-propylpiperazin-4-ium IUPAC Name: 1-(benzenesulfonyl)-4-propylpiperazin-4-ium Traditional Name: 1-besyl-4-propyl-piperazin-4-ium Formula: C13H21N2O2S+ MolecularWeight: 269.38304

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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