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

Systemtic Name: (2S)-N-[(3S)-2-oxidanylidenepiperidin-3-yl]-1-piperidin-1-ium-4-ylcarbonyl-4-pyridin-3-ylcarbonyl-piperazine-2-carboxamide Openeye Name: (2S)-N-[(3S)-2-oxo-3-piperidyl]-1-(piperidin-1-ium-4-carbonyl)-4-(pyridine-3-carbonyl)piperazine-2-carboxamide CAS Name: (2S)-1-[oxo(4-piperidin-1-iumyl)methyl]-N-[(3S)-2-oxo-3-piperidinyl]-4-[oxo(3-pyridinyl)methyl]-2-piperazinecarboxamide IUPAC Name: (2S)-N-[(3S)-2-oxopiperidin-3-yl]-1-(piperidin-1-ium-4-carbonyl)-4-(pyridine-3-carbonyl)piperazine-2-carboxamide Traditional Name: (2S)-N-[(3S)-2-keto-3-piperidyl]-4-nicotinoyl-1-(piperidin-1-ium-4-carbonyl)piperazine-2-carboxamide Formula: C22H31N6O4+ MolecularWeight: 443.51934

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(=O)NC1)NC(=O)C2CN(CCN2C(=O)C3CC[NH2+]CC3)C(=O)C4=CN=CC=C4

Isomeric SMILES

C1C[C@@H](C(=O)NC1)NC(=O)[C@@H]2CN(CCN2C(=O)C3CC[NH2+]CC3)C(=O)C4=CN=CC=C4

InChI

InChI=1S/C22H30N6O4/c29-19-17(4-2-8-25-19)26-20(30)18-14-27(21(31)16-3-1-7-24-13-16)11-12-28(18)22(32)15-5-9-23-10-6-15/h1,3,7,13,15,17-18,23H,2,4-6,8-12,14H2,(H,25,29)(H,26,30)/p+1/t17-,18-/m0/s1