(3R)-N3-[(3S)-2-oxidanylidenepiperidin-3-yl]-4-piperidin-1-ium-4-ylcarbonyl-N1-propan-2-yl-piperazine-1,3-dicarboxamide

Systemtic Name: (3R)-N3-[(3S)-2-oxidanylidenepiperidin-3-yl]-4-piperidin-1-ium-4-ylcarbonyl-N1-propan-2-yl-piperazine-1,3-dicarboxamide Openeye Name: (3R)-N1-isopropyl-N3-[(3S)-2-oxo-3-piperidyl]-4-(piperidin-1-ium-4-carbonyl)piperazine-1,3-dicarboxamide CAS Name: (3R)-4-[oxo(4-piperidin-1-iumyl)methyl]-N3-[(3S)-2-oxo-3-piperidinyl]-N1-propan-2-ylpiperazine-1,3-dicarboxamide IUPAC Name: (3R)-3-N-[(3S)-2-oxopiperidin-3-yl]-4-(piperidin-1-ium-4-carbonyl)-1-N-propan-2-ylpiperazine-1,3-dicarboxamide Traditional Name: (3R)-N-isopropyl-N'-[(3S)-2-keto-3-piperidyl]-4-(piperidin-1-ium-4-carbonyl)piperazine-1,3-dicarboxamide Formula: C20H35N6O4+ MolecularWeight: 423.5297

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)N1CCN(C(C1)C(=O)NC2CCCNC2=O)C(=O)C3CC[NH2+]CC3

Isomeric SMILES

CC(C)NC(=O)N1CCN([C@H](C1)C(=O)N[C@H]2CCCNC2=O)C(=O)C3CC[NH2+]CC3

InChI

InChI=1S/C20H34N6O4/c1-13(2)23-20(30)25-10-11-26(19(29)14-5-8-21-9-6-14)16(12-25)18(28)24-15-4-3-7-22-17(15)27/h13-16,21H,3-12H2,1-2H3,(H,22,27)(H,23,30)(H,24,28)/p+1/t15-,16+/m0/s1