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

Systemtic Name: (2S)-N-[(3S)-2-oxidanylidenepiperidin-3-yl]-4-pyridin-3-ylcarbonyl-piperazin-1-ium-2-carboxamide Openeye Name: (2S)-N-[(3S)-2-oxo-3-piperidyl]-4-(pyridine-3-carbonyl)piperazin-1-ium-2-carboxamide CAS Name: (2S)-N-[(3S)-2-oxo-3-piperidinyl]-4-[oxo(3-pyridinyl)methyl]-2-piperazin-1-iumcarboxamide IUPAC Name: (2S)-N-[(3S)-2-oxopiperidin-3-yl]-4-(pyridine-3-carbonyl)piperazin-1-ium-2-carboxamide Traditional Name: (2S)-N-[(3S)-2-keto-3-piperidyl]-4-nicotinoyl-piperazin-1-ium-2-carboxamide Formula: C16H22N5O3+ MolecularWeight: 332.37758

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21N5O3/c22-14-12(4-2-6-19-14)20-15(23)13-10-21(8-7-18-13)16(24)11-3-1-5-17-9-11/h1,3,5,9,12-13,18H,2,4,6-8,10H2,(H,19,22)(H,20,23)/p+1/t12-,13-/m0/s1