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

Systemtic Name: N-(2-cyano-4,5-dimethoxy-phenyl)-2-[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2-cyano-4,5-dimethoxy-phenyl)-2-[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(2-cyano-4,5-dimethoxyphenyl)-2-[4-(2-hydroxyethyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2-cyano-4,5-dimethoxyphenyl)-2-[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2-cyano-4,5-dimethoxy-phenyl)-2-[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]acetamide Formula: C17H25N4O4+ MolecularWeight: 349.4048

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H24N4O4/c1-24-15-9-13(11-18)14(10-16(15)25-2)19-17(23)12-21-5-3-20(4-6-21)7-8-22/h9-10,22H,3-8,12H2,1-2H3,(H,19,23)/p+1