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

Systemtic Name: 1-(4-fluorophenyl)sulfonyl-4-[1-(phenylmethyl)piperidin-1-ium-4-yl]piperazin-4-ium Openeye Name: 1-(1-benzylpiperidin-1-ium-4-yl)-4-(4-fluorophenyl)sulfonyl-piperazin-1-ium CAS Name: 1-(4-fluorophenyl)sulfonyl-4-[1-(phenylmethyl)-4-piperidin-1-iumyl]piperazin-4-ium IUPAC Name: 1-(1-benzylpiperidin-1-ium-4-yl)-4-(4-fluorophenyl)sulfonylpiperazin-1-ium Traditional Name: 1-(1-benzylpiperidin-1-ium-4-yl)-4-(4-fluorophenyl)sulfonyl-piperazin-1-ium Formula: C22H30FN3O2S+2 MolecularWeight: 419.555903

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F)CC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CCC1[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F)CC4=CC=CC=C4

InChI

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