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

Systemtic Name: N-(2-cyano-4,5-dimethoxy-phenyl)-2-(4-cyclohexylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-(2-cyano-4,5-dimethoxy-phenyl)-2-(4-cyclohexylpiperazin-1-ium-1-yl)acetamide CAS Name: N-(2-cyano-4,5-dimethoxyphenyl)-2-(4-cyclohexyl-1-piperazin-1-iumyl)acetamide IUPAC Name: N-(2-cyano-4,5-dimethoxyphenyl)-2-(4-cyclohexylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-(2-cyano-4,5-dimethoxy-phenyl)-2-(4-cyclohexylpiperazin-1-ium-1-yl)acetamide Formula: C21H31N4O3+ MolecularWeight: 387.49584

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C#N)NC(=O)C[NH+]2CCN(CC2)C3CCCCC3)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C#N)NC(=O)C[NH+]2CCN(CC2)C3CCCCC3)OC

InChI

InChI=1S/C21H30N4O3/c1-27-19-12-16(14-22)18(13-20(19)28-2)23-21(26)15-24-8-10-25(11-9-24)17-6-4-3-5-7-17/h12-13,17H,3-11,15H2,1-2H3,(H,23,26)/p+1