1-(phenylsulfonyl)-4-(pyridin-3-ylmethyl)piperazin-4-ium

Systemtic Name: 1-(phenylsulfonyl)-4-(pyridin-3-ylmethyl)piperazin-4-ium Openeye Name: 1-(benzenesulfonyl)-4-(3-pyridylmethyl)piperazin-4-ium CAS Name: 1-(benzenesulfonyl)-4-(3-pyridinylmethyl)piperazin-4-ium IUPAC Name: 1-(benzenesulfonyl)-4-(pyridin-3-ylmethyl)piperazin-4-ium Traditional Name: 1-besyl-4-(3-pyridylmethyl)piperazin-4-ium Formula: C16H20N3O2S+ MolecularWeight: 318.4139

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19N3O2S/c20-22(21,16-6-2-1-3-7-16)19-11-9-18(10-12-19)14-15-5-4-8-17-13-15/h1-8,13H,9-12,14H2/p+1