1-cyclopentyl-4-[[2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-1,3-oxazol-4-yl]carbonyl]piperazin-2-one

Systemtic Name: 1-cyclopentyl-4-[[2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-1,3-oxazol-4-yl]carbonyl]piperazin-2-one Openeye Name: 1-cyclopentyl-4-[2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]oxazole-4-carbonyl]piperazin-2-one CAS Name: 1-cyclopentyl-4-[oxo-[2-[[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]methyl]-4-oxazolyl]methyl]-2-piperazinone IUPAC Name: 1-cyclopentyl-4-[2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-1,3-oxazole-4-carbonyl]piperazin-2-one Traditional Name: 1-cyclopentyl-4-[2-[[4-(2-pyrimidyl)piperazin-1-ium-1-yl]methyl]oxazole-4-carbonyl]piperazin-2-one Formula: C22H30N7O3+ MolecularWeight: 440.5187

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2CCN(CC2=O)C(=O)C3=COC(=N3)C[NH+]4CCN(CC4)C5=NC=CC=N5

Isomeric SMILES

C1CCC(C1)N2CCN(CC2=O)C(=O)C3=COC(=N3)C[NH+]4CCN(CC4)C5=NC=CC=N5

InChI

InChI=1S/C22H29N7O3/c30-20-15-28(12-13-29(20)17-4-1-2-5-17)21(31)18-16-32-19(25-18)14-26-8-10-27(11-9-26)22-23-6-3-7-24-22/h3,6-7,16-17H,1-2,4-5,8-15H2/p+1