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

Systemtic Name: N-(2-cyano-4,5-dimethoxy-phenyl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-(2-cyano-4,5-dimethoxy-phenyl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide CAS Name: N-(2-cyano-4,5-dimethoxyphenyl)-2-[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2-cyano-4,5-dimethoxyphenyl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-(2-cyano-4,5-dimethoxy-phenyl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide Formula: C20H25N5O3+2 MolecularWeight: 383.4442

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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=CC=[NH+]3)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C#N)NC(=O)C[NH+]2CCN(CC2)C3=CC=CC=[NH+]3)OC

InChI

InChI=1S/C20H23N5O3/c1-27-17-11-15(13-21)16(12-18(17)28-2)23-20(26)14-24-7-9-25(10-8-24)19-5-3-4-6-22-19/h3-6,11-12H,7-10,14H2,1-2H3,(H,23,26)/p+2