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

Systemtic Name: 1-(phenylsulfonyl)-4-(pyridin-1-ium-4-ylmethyl)piperazin-4-ium Openeye Name: 1-(benzenesulfonyl)-4-(pyridin-1-ium-4-ylmethyl)piperazin-4-ium CAS Name: 1-(benzenesulfonyl)-4-(4-pyridin-1-iumylmethyl)piperazin-4-ium IUPAC Name: 1-(benzenesulfonyl)-4-(pyridin-1-ium-4-ylmethyl)piperazin-4-ium Traditional Name: 1-besyl-4-(pyridin-1-ium-4-ylmethyl)piperazin-4-ium Formula: C16H21N3O2S+2 MolecularWeight: 319.42184

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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