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

Systemtic Name: N-(2-cyano-4,5-dimethoxy-phenyl)-2-piperidin-1-ium-1-yl-ethanamide Openeye Name: N-(2-cyano-4,5-dimethoxy-phenyl)-2-piperidin-1-ium-1-yl-acetamide CAS Name: N-(2-cyano-4,5-dimethoxyphenyl)-2-(1-piperidin-1-iumyl)acetamide IUPAC Name: N-(2-cyano-4,5-dimethoxyphenyl)-2-piperidin-1-ium-1-ylacetamide Traditional Name: N-(2-cyano-4,5-dimethoxy-phenyl)-2-piperidin-1-ium-1-yl-acetamide Formula: C16H22N3O3+ MolecularWeight: 304.36418

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C#N)NC(=O)C[NH+]2CCCCC2)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C#N)NC(=O)C[NH+]2CCCCC2)OC

InChI

InChI=1S/C16H21N3O3/c1-21-14-8-12(10-17)13(9-15(14)22-2)18-16(20)11-19-6-4-3-5-7-19/h8-9H,3-7,11H2,1-2H3,(H,18,20)/p+1