1-(4-fluorophenyl)-2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanone

Systemtic Name: 1-(4-fluorophenyl)-2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanone Openeye Name: 1-(4-fluorophenyl)-2-[4-(4-isopropylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanone CAS Name: 1-(4-fluorophenyl)-2-[4-(4-propan-2-ylphenyl)sulfonyl-1-piperazin-1-iumyl]ethanone IUPAC Name: 1-(4-fluorophenyl)-2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanone Traditional Name: 1-(4-fluorophenyl)-2-(4-p-cumenylsulfonylpiperazin-1-ium-1-yl)ethanone Formula: C21H26FN2O3S+ MolecularWeight: 405.506143

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CC(C)C1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C21H25FN2O3S/c1-16(2)17-5-9-20(10-6-17)28(26,27)24-13-11-23(12-14-24)15-21(25)18-3-7-19(22)8-4-18/h3-10,16H,11-15H2,1-2H3/p+1