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

Systemtic Name: N-(1-cyanocyclohexyl)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-N-methyl-ethanamide Openeye Name: N-(1-cyanocyclohexyl)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-N-methyl-acetamide CAS Name: N-(1-cyanocyclohexyl)-2-[4-(4-fluorophenyl)-1-piperazin-1-iumyl]-N-methylacetamide IUPAC Name: N-(1-cyanocyclohexyl)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-N-methylacetamide Traditional Name: N-(1-cyanocyclohexyl)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-N-methyl-acetamide Formula: C20H28FN4O+ MolecularWeight: 359.460923

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27FN4O/c1-23(20(16-22)9-3-2-4-10-20)19(26)15-24-11-13-25(14-12-24)18-7-5-17(21)6-8-18/h5-8H,2-4,9-15H2,1H3/p+1