(2S)-N-[(3S)-2-oxidanylidenepiperidin-3-yl]-4-pyrimidin-5-ylcarbonyl-piperazin-1-ium-2-carboxamide

Systemtic Name: (2S)-N-[(3S)-2-oxidanylidenepiperidin-3-yl]-4-pyrimidin-5-ylcarbonyl-piperazin-1-ium-2-carboxamide Openeye Name: (2S)-N-[(3S)-2-oxo-3-piperidyl]-4-(pyrimidine-5-carbonyl)piperazin-1-ium-2-carboxamide CAS Name: (2S)-N-[(3S)-2-oxo-3-piperidinyl]-4-[oxo(5-pyrimidinyl)methyl]-2-piperazin-1-iumcarboxamide IUPAC Name: (2S)-N-[(3S)-2-oxopiperidin-3-yl]-4-(pyrimidine-5-carbonyl)piperazin-1-ium-2-carboxamide Traditional Name: (2S)-N-[(3S)-2-keto-3-piperidyl]-4-(pyrimidine-5-carbonyl)piperazin-1-ium-2-carboxamide Formula: C15H21N6O3+ MolecularWeight: 333.36564

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(=O)NC1)NC(=O)C2CN(CC[NH2+]2)C(=O)C3=CN=CN=C3

Isomeric SMILES

C1C[C@@H](C(=O)NC1)NC(=O)[C@@H]2CN(CC[NH2+]2)C(=O)C3=CN=CN=C3

InChI

InChI=1S/C15H20N6O3/c22-13-11(2-1-3-19-13)20-14(23)12-8-21(5-4-18-12)15(24)10-6-16-9-17-7-10/h6-7,9,11-12,18H,1-5,8H2,(H,19,22)(H,20,23)/p+1/t11-,12-/m0/s1