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

Systemtic Name: (3R)-N3-[(3S)-2-oxidanylidenepiperidin-3-yl]-N1-phenyl-4-piperidin-1-ium-4-ylcarbonyl-piperazine-1,3-dicarboxamide Openeye Name: (3R)-N3-[(3S)-2-oxo-3-piperidyl]-N1-phenyl-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-phenylpiperazine-1,3-dicarboxamide IUPAC Name: (3R)-3-N-[(3S)-2-oxopiperidin-3-yl]-1-N-phenyl-4-(piperidin-1-ium-4-carbonyl)piperazine-1,3-dicarboxamide Traditional Name: (3R)-N'-[(3S)-2-keto-3-piperidyl]-N-phenyl-4-(piperidin-1-ium-4-carbonyl)piperazine-1,3-dicarboxamide Formula: C23H33N6O4+ MolecularWeight: 457.54592

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(=O)NC1)NC(=O)C2CN(CCN2C(=O)C3CC[NH2+]CC3)C(=O)NC4=CC=CC=C4

Isomeric SMILES

C1C[C@@H](C(=O)NC1)NC(=O)[C@H]2CN(CCN2C(=O)C3CC[NH2+]CC3)C(=O)NC4=CC=CC=C4

InChI

InChI=1S/C23H32N6O4/c30-20-18(7-4-10-25-20)27-21(31)19-15-28(23(33)26-17-5-2-1-3-6-17)13-14-29(19)22(32)16-8-11-24-12-9-16/h1-3,5-6,16,18-19,24H,4,7-15H2,(H,25,30)(H,26,33)(H,27,31)/p+1/t18-,19+/m0/s1