4-[2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanoyl]spiro[1H-quinoxaline-3,1'-cyclopentane]-2-one

Systemtic Name: 4-[2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanoyl]spiro[1H-quinoxaline-3,1'-cyclopentane]-2-one Openeye Name: 4-[2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetyl]spiro[1H-quinoxaline-3,1'-cyclopentane]-2-one CAS Name: 4-[1-oxo-2-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]ethyl]-2-spiro[1H-quinoxaline-3,1'-cyclopentane]one IUPAC Name: 4-[2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetyl]spiro[1H-quinoxaline-3,1'-cyclopentane]-2-one Traditional Name: 4-[2-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]acetyl]spiro[1H-quinoxaline-3,1'-cyclopentane]-2-one Formula: C22H27N6O2+ MolecularWeight: 407.48878

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2(C1)C(=O)NC3=CC=CC=C3N2C(=O)C[NH+]4CCN(CC4)C5=NC=CC=N5

Isomeric SMILES

C1CCC2(C1)C(=O)NC3=CC=CC=C3N2C(=O)C[NH+]4CCN(CC4)C5=NC=CC=N5

InChI

InChI=1S/C22H26N6O2/c29-19(16-26-12-14-27(15-13-26)21-23-10-5-11-24-21)28-18-7-2-1-6-17(18)25-20(30)22(28)8-3-4-9-22/h1-2,5-7,10-11H,3-4,8-9,12-16H2,(H,25,30)/p+1