N-(2-cyanophenyl)-2-[4-[(3,4-dimethoxyphenyl)methyl]piperazine-1,4-diium-1-yl]ethanamide

Systemtic Name: N-(2-cyanophenyl)-2-[4-[(3,4-dimethoxyphenyl)methyl]piperazine-1,4-diium-1-yl]ethanamide Openeye Name: N-(2-cyanophenyl)-2-[4-[(3,4-dimethoxyphenyl)methyl]piperazine-1,4-diium-1-yl]acetamide CAS Name: N-(2-cyanophenyl)-2-[4-[(3,4-dimethoxyphenyl)methyl]-1-piperazine-1,4-diiumyl]acetamide IUPAC Name: N-(2-cyanophenyl)-2-[4-[(3,4-dimethoxyphenyl)methyl]piperazine-1,4-diium-1-yl]acetamide Traditional Name: N-(2-cyanophenyl)-2-(4-veratrylpiperazine-1,4-diium-1-yl)acetamide Formula: C22H28N4O3+2 MolecularWeight: 396.48272

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C[NH+]2CC[NH+](CC2)CC(=O)NC3=CC=CC=C3C#N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C[NH+]2CC[NH+](CC2)CC(=O)NC3=CC=CC=C3C#N)OC

InChI

InChI=1S/C22H26N4O3/c1-28-20-8-7-17(13-21(20)29-2)15-25-9-11-26(12-10-25)16-22(27)24-19-6-4-3-5-18(19)14-23/h3-8,13H,9-12,15-16H2,1-2H3,(H,24,27)/p+2