N-(2-cyano-4,5-dimethoxy-phenyl)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2-cyano-4,5-dimethoxy-phenyl)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2-cyano-4,5-dimethoxy-phenyl)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(2-cyano-4,5-dimethoxyphenyl)-2-[4-(4-fluorophenyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2-cyano-4,5-dimethoxyphenyl)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2-cyano-4,5-dimethoxy-phenyl)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]acetamide Formula: C21H24FN4O3+ MolecularWeight: 399.438663

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C#N)NC(=O)C[NH+]2CCN(CC2)C3=CC=C(C=C3)F)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C#N)NC(=O)C[NH+]2CCN(CC2)C3=CC=C(C=C3)F)OC

InChI

InChI=1S/C21H23FN4O3/c1-28-19-11-15(13-23)18(12-20(19)29-2)24-21(27)14-25-7-9-26(10-8-25)17-5-3-16(22)4-6-17/h3-6,11-12H,7-10,14H2,1-2H3,(H,24,27)/p+1