1-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-4-(phenylmethyl)piperazine-1,4-diium

Systemtic Name: 1-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-4-(phenylmethyl)piperazine-1,4-diium Openeye Name: 1-benzyl-4-[1-(4-fluorophenyl)sulfonyl-4-piperidyl]piperazine-1,4-diium CAS Name: 1-[1-(4-fluorophenyl)sulfonyl-4-piperidinyl]-4-(phenylmethyl)piperazine-1,4-diium IUPAC Name: 1-benzyl-4-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]piperazine-1,4-diium Traditional Name: 1-benzyl-4-[1-(4-fluorophenyl)sulfonyl-4-piperidyl]piperazine-1,4-diium Formula: C22H30FN3O2S+2 MolecularWeight: 419.555903

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1[NH+]2CC[NH+](CC2)CC3=CC=CC=C3)S(=O)(=O)C4=CC=C(C=C4)F

Isomeric SMILES

C1CN(CCC1[NH+]2CC[NH+](CC2)CC3=CC=CC=C3)S(=O)(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C22H28FN3O2S/c23-20-6-8-22(9-7-20)29(27,28)26-12-10-21(11-13-26)25-16-14-24(15-17-25)18-19-4-2-1-3-5-19/h1-9,21H,10-18H2/p+2