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

Systemtic Name: N-(2-cyano-4,5-dimethoxy-phenyl)-2-[(2S)-2-(2-hydroxyethyl)piperidin-1-ium-1-yl]ethanamide Openeye Name: N-(2-cyano-4,5-dimethoxy-phenyl)-2-[(2S)-2-(2-hydroxyethyl)piperidin-1-ium-1-yl]acetamide CAS Name: N-(2-cyano-4,5-dimethoxyphenyl)-2-[(2S)-2-(2-hydroxyethyl)-1-piperidin-1-iumyl]acetamide IUPAC Name: N-(2-cyano-4,5-dimethoxyphenyl)-2-[(2S)-2-(2-hydroxyethyl)piperidin-1-ium-1-yl]acetamide Traditional Name: N-(2-cyano-4,5-dimethoxy-phenyl)-2-[(2S)-2-(2-hydroxyethyl)piperidin-1-ium-1-yl]acetamide Formula: C18H26N3O4+ MolecularWeight: 348.41674

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C#N)NC(=O)C[NH+]2CCCCC2CCO)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C#N)NC(=O)C[NH+]2CCCC[C@H]2CCO)OC

InChI

InChI=1S/C18H25N3O4/c1-24-16-9-13(11-19)15(10-17(16)25-2)20-18(23)12-21-7-4-3-5-14(21)6-8-22/h9-10,14,22H,3-8,12H2,1-2H3,(H,20,23)/p+1/t14-/m0/s1