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

Systemtic Name: 1-[(2-fluorophenyl)methyl]-4-(5-piperidin-1-ylsulfonylpyridin-1-ium-2-yl)piperazin-1-ium Openeye Name: 1-[(2-fluorophenyl)methyl]-4-[5-(1-piperidylsulfonyl)pyridin-1-ium-2-yl]piperazin-1-ium CAS Name: 1-[(2-fluorophenyl)methyl]-4-[5-(1-piperidinylsulfonyl)-2-pyridin-1-iumyl]piperazin-1-ium IUPAC Name: 1-[(2-fluorophenyl)methyl]-4-(5-piperidin-1-ylsulfonylpyridin-1-ium-2-yl)piperazin-1-ium Traditional Name: 1-(2-fluorobenzyl)-4-(5-piperidinosulfonylpyridin-1-ium-2-yl)piperazin-1-ium Formula: C21H29FN4O2S+2 MolecularWeight: 420.543963

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=C[NH+]=C(C=C2)N3CC[NH+](CC3)CC4=CC=CC=C4F

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=C[NH+]=C(C=C2)N3CC[NH+](CC3)CC4=CC=CC=C4F

InChI

InChI=1S/C21H27FN4O2S/c22-20-7-3-2-6-18(20)17-24-12-14-25(15-13-24)21-9-8-19(16-23-21)29(27,28)26-10-4-1-5-11-26/h2-3,6-9,16H,1,4-5,10-15,17H2/p+2