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

Systemtic Name: N-(2-cyano-4,5-dimethoxy-phenyl)-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2-cyano-4,5-dimethoxy-phenyl)-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(2-cyano-4,5-dimethoxyphenyl)-2-[4-(2-methoxyphenyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2-cyano-4,5-dimethoxyphenyl)-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2-cyano-4,5-dimethoxy-phenyl)-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]acetamide Formula: C22H27N4O4+ MolecularWeight: 411.47418

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CC[NH+](CC2)CC(=O)NC3=CC(=C(C=C3C#N)OC)OC

Isomeric SMILES

COC1=CC=CC=C1N2CC[NH+](CC2)CC(=O)NC3=CC(=C(C=C3C#N)OC)OC

InChI

InChI=1S/C22H26N4O4/c1-28-19-7-5-4-6-18(19)26-10-8-25(9-11-26)15-22(27)24-17-13-21(30-3)20(29-2)12-16(17)14-23/h4-7,12-13H,8-11,15H2,1-3H3,(H,24,27)/p+1