1-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-4-(phenylmethyl)piperazin-1-ium

Systemtic Name: 1-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-4-(phenylmethyl)piperazin-1-ium Openeye Name: 1-benzyl-4-[1-(4-fluorophenyl)sulfonyl-4-piperidyl]piperazin-4-ium CAS Name: 1-[1-(4-fluorophenyl)sulfonyl-4-piperidinyl]-4-(phenylmethyl)piperazin-1-ium IUPAC Name: 1-benzyl-4-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]piperazin-4-ium Traditional Name: 1-benzyl-4-[1-(4-fluorophenyl)sulfonyl-4-piperidyl]piperazin-4-ium Formula: C22H29FN3O2S+ MolecularWeight: 418.547963

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1CN(CCC1[NH+]2CCN(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+1