N-(1-cyanocyclopentyl)-2-[4-(4-ethanoylphenyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(1-cyanocyclopentyl)-2-[4-(4-ethanoylphenyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: 2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-N-(1-cyanocyclopentyl)acetamide CAS Name: 2-[4-(4-acetylphenyl)-1-piperazin-1-iumyl]-N-(1-cyanocyclopentyl)acetamide IUPAC Name: 2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-N-(1-cyanocyclopentyl)acetamide Traditional Name: 2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-N-(1-cyanocyclopentyl)acetamide Formula: C20H27N4O2+ MolecularWeight: 355.45398

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)N2CC[NH+](CC2)CC(=O)NC3(CCCC3)C#N

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)N2CC[NH+](CC2)CC(=O)NC3(CCCC3)C#N

InChI

InChI=1S/C20H26N4O2/c1-16(25)17-4-6-18(7-5-17)24-12-10-23(11-13-24)14-19(26)22-20(15-21)8-2-3-9-20/h4-7H,2-3,8-14H2,1H3,(H,22,26)/p+1