N-(1-cyanocyclohexyl)-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-methyl-ethanamide

Systemtic Name: N-(1-cyanocyclohexyl)-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-methyl-ethanamide Openeye Name: N-(1-cyanocyclohexyl)-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-methyl-acetamide CAS Name: N-(1-cyanocyclohexyl)-2-[4-(3-fluorophenyl)sulfonyl-1-piperazin-1-iumyl]-N-methylacetamide IUPAC Name: N-(1-cyanocyclohexyl)-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-methylacetamide Traditional Name: N-(1-cyanocyclohexyl)-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-methyl-acetamide Formula: C20H28FN4O3S+ MolecularWeight: 423.524723

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(=O)C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)F)C3(CCCCC3)C#N

Isomeric SMILES

CN(C(=O)C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)F)C3(CCCCC3)C#N

InChI

InChI=1S/C20H27FN4O3S/c1-23(20(16-22)8-3-2-4-9-20)19(26)15-24-10-12-25(13-11-24)29(27,28)18-7-5-6-17(21)14-18/h5-7,14H,2-4,8-13,15H2,1H3/p+1