1-[(2-fluorophenyl)methyl]-4-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)piperazin-1-ium

Systemtic Name: 1-[(2-fluorophenyl)methyl]-4-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)piperazin-1-ium Openeye Name: 1-[(2-fluorophenyl)methyl]-4-(5-pyrrolidin-1-ylsulfonyl-2-pyridyl)piperazin-1-ium CAS Name: 1-[(2-fluorophenyl)methyl]-4-[5-(1-pyrrolidinylsulfonyl)-2-pyridinyl]piperazin-1-ium IUPAC Name: 1-[(2-fluorophenyl)methyl]-4-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)piperazin-1-ium Traditional Name: 1-(2-fluorobenzyl)-4-(5-pyrrolidinosulfonyl-2-pyridyl)piperazin-1-ium Formula: C20H26FN4O2S+ MolecularWeight: 405.509443

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CN=C(C=C2)N3CC[NH+](CC3)CC4=CC=CC=C4F

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CN=C(C=C2)N3CC[NH+](CC3)CC4=CC=CC=C4F

InChI

InChI=1S/C20H25FN4O2S/c21-19-6-2-1-5-17(19)16-23-11-13-24(14-12-23)20-8-7-18(15-22-20)28(26,27)25-9-3-4-10-25/h1-2,5-8,15H,3-4,9-14,16H2/p+1