2-[4-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]carbonylpiperazin-1-ium-1-yl]ethyl-dimethyl-azanium

Systemtic Name: 2-[4-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]carbonylpiperazin-1-ium-1-yl]ethyl-dimethyl-azanium Openeye Name: 2-[4-[1-(4-fluorophenyl)sulfonylpiperidine-4-carbonyl]piperazin-1-ium-1-yl]ethyl-dimethyl-ammonium CAS Name: 2-[4-[[1-(4-fluorophenyl)sulfonyl-4-piperidinyl]-oxomethyl]-1-piperazin-1-iumyl]ethyl-dimethylammonium IUPAC Name: 2-[4-[1-(4-fluorophenyl)sulfonylpiperidine-4-carbonyl]piperazin-1-ium-1-yl]ethyl-dimethylazanium Traditional Name: 2-[4-[1-(4-fluorophenyl)sulfonylisonipecotoyl]piperazin-1-ium-1-yl]ethyl-dimethyl-ammonium Formula: C20H33FN4O3S+2 MolecularWeight: 428.564423

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CC[NH+]1CCN(CC1)C(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

C[NH+](C)CC[NH+]1CCN(CC1)C(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C20H31FN4O3S/c1-22(2)11-12-23-13-15-24(16-14-23)20(26)17-7-9-25(10-8-17)29(27,28)19-5-3-18(21)4-6-19/h3-6,17H,7-16H2,1-2H3/p+2