(2R,3S)-2-(4-pyrimidin-2-ylpiperazin-1-yl)carbonylbicyclo[2.2.2]octane-3-carboxylate

Systemtic Name: (2R,3S)-2-(4-pyrimidin-2-ylpiperazin-1-yl)carbonylbicyclo[2.2.2]octane-3-carboxylate Openeye Name: (2R,3S)-2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)bicyclo[2.2.2]octane-3-carboxylate CAS Name: (2R,3S)-2-[oxo-[4-(2-pyrimidinyl)-1-piperazinyl]methyl]-3-bicyclo[2.2.2]octanecarboxylate IUPAC Name: (2R,3S)-2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)bicyclo[2.2.2]octane-3-carboxylate Traditional Name: (2R,3S)-2-[4-(2-pyrimidyl)piperazine-1-carbonyl]bicyclo[2.2.2]octane-3-carboxylate Formula: C18H23N4O3- MolecularWeight: 343.40022

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2CCC1C(C2C(=O)[O-])C(=O)N3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

C1CC2CCC1[C@H]([C@H]2C(=O)[O-])C(=O)N3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C18H24N4O3/c23-16(14-12-2-4-13(5-3-12)15(14)17(24)25)21-8-10-22(11-9-21)18-19-6-1-7-20-18/h1,6-7,12-15H,2-5,8-11H2,(H,24,25)/p-1/t12?,13?,14-,15+/m1/s1