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

Systemtic Name: 1-(phenylmethyl)-4-(phenylsulfonyl)piperazin-1-ium Openeye Name: 1-(benzenesulfonyl)-4-benzyl-piperazin-4-ium CAS Name: 1-(benzenesulfonyl)-4-(phenylmethyl)piperazin-4-ium IUPAC Name: 1-(benzenesulfonyl)-4-benzylpiperazin-4-ium Traditional Name: 1-benzyl-4-besyl-piperazin-1-ium Formula: C17H21N2O2S+ MolecularWeight: 317.42584

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C17H20N2O2S/c20-22(21,17-9-5-2-6-10-17)19-13-11-18(12-14-19)15-16-7-3-1-4-8-16/h1-10H,11-15H2/p+1