1-(4-fluorophenyl)sulfonyl-4-(pyridin-3-ylmethyl)piperazin-4-ium

Systemtic Name: 1-(4-fluorophenyl)sulfonyl-4-(pyridin-3-ylmethyl)piperazin-4-ium Openeye Name: 1-(4-fluorophenyl)sulfonyl-4-(3-pyridylmethyl)piperazin-4-ium CAS Name: 1-(4-fluorophenyl)sulfonyl-4-(3-pyridinylmethyl)piperazin-4-ium IUPAC Name: 1-(4-fluorophenyl)sulfonyl-4-(pyridin-3-ylmethyl)piperazin-4-ium Traditional Name: 1-(4-fluorophenyl)sulfonyl-4-(3-pyridylmethyl)piperazin-4-ium Formula: C16H19FN3O2S+ MolecularWeight: 336.404363

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18FN3O2S/c17-15-3-5-16(6-4-15)23(21,22)20-10-8-19(9-11-20)13-14-2-1-7-18-12-14/h1-7,12H,8-11,13H2/p+1