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

Systemtic Name: N-(1-cyanocyclopentyl)-2-[4-(4-cyanopyridin-2-yl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(1-cyanocyclopentyl)-2-[4-(4-cyano-2-pyridyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(1-cyanocyclopentyl)-2-[4-(4-cyano-2-pyridinyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(1-cyanocyclopentyl)-2-[4-(4-cyanopyridin-2-yl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(1-cyanocyclopentyl)-2-[4-(4-cyano-2-pyridyl)piperazin-1-ium-1-yl]acetamide Formula: C18H23N6O+ MolecularWeight: 339.41482

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)(C#N)NC(=O)C[NH+]2CCN(CC2)C3=NC=CC(=C3)C#N

Isomeric SMILES

C1CCC(C1)(C#N)NC(=O)C[NH+]2CCN(CC2)C3=NC=CC(=C3)C#N

InChI

InChI=1S/C18H22N6O/c19-12-15-3-6-21-16(11-15)24-9-7-23(8-10-24)13-17(25)22-18(14-20)4-1-2-5-18/h3,6,11H,1-2,4-5,7-10,13H2,(H,22,25)/p+1