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

Systemtic Name: N-(1-cyanocyclopentyl)-2-[4-(pyridin-2-ylmethyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(1-cyanocyclopentyl)-2-[4-(2-pyridylmethyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(1-cyanocyclopentyl)-2-[4-(2-pyridinylmethyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(1-cyanocyclopentyl)-2-[4-(pyridin-2-ylmethyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(1-cyanocyclopentyl)-2-[4-(2-pyridylmethyl)piperazin-1-ium-1-yl]acetamide Formula: C18H26N5O+ MolecularWeight: 328.43194

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)(C#N)NC(=O)C[NH+]2CCN(CC2)CC3=CC=CC=N3

Isomeric SMILES

C1CCC(C1)(C#N)NC(=O)C[NH+]2CCN(CC2)CC3=CC=CC=N3

InChI

InChI=1S/C18H25N5O/c19-15-18(6-2-3-7-18)21-17(24)14-23-11-9-22(10-12-23)13-16-5-1-4-8-20-16/h1,4-5,8H,2-3,6-7,9-14H2,(H,21,24)/p+1