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

Systemtic Name: N-(1-cyanocyclopentyl)-2-[4-[(3,4-dimethoxyphenyl)methyl]piperazine-1,4-diium-1-yl]ethanamide Openeye Name: N-(1-cyanocyclopentyl)-2-[4-[(3,4-dimethoxyphenyl)methyl]piperazine-1,4-diium-1-yl]acetamide CAS Name: N-(1-cyanocyclopentyl)-2-[4-[(3,4-dimethoxyphenyl)methyl]-1-piperazine-1,4-diiumyl]acetamide IUPAC Name: N-(1-cyanocyclopentyl)-2-[4-[(3,4-dimethoxyphenyl)methyl]piperazine-1,4-diium-1-yl]acetamide Traditional Name: N-(1-cyanocyclopentyl)-2-(4-veratrylpiperazine-1,4-diium-1-yl)acetamide Formula: C21H32N4O3+2 MolecularWeight: 388.50378

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C[NH+]2CC[NH+](CC2)CC(=O)NC3(CCCC3)C#N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C[NH+]2CC[NH+](CC2)CC(=O)NC3(CCCC3)C#N)OC

InChI

InChI=1S/C21H30N4O3/c1-27-18-6-5-17(13-19(18)28-2)14-24-9-11-25(12-10-24)15-20(26)23-21(16-22)7-3-4-8-21/h5-6,13H,3-4,7-12,14-15H2,1-2H3,(H,23,26)/p+2