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

Systemtic Name: (2R)-4-(4-dimethylaminophenyl)carbonyl-N-[(3S)-2-oxidanylidenepiperidin-3-yl]-1-piperidin-1-ium-4-ylcarbonyl-piperazine-2-carboxamide Openeye Name: (2R)-4-[4-(dimethylamino)benzoyl]-N-[(3S)-2-oxo-3-piperidyl]-1-(piperidin-1-ium-4-carbonyl)piperazine-2-carboxamide CAS Name: (2R)-4-[(4-dimethylaminophenyl)-oxomethyl]-1-[oxo(4-piperidin-1-iumyl)methyl]-N-[(3S)-2-oxo-3-piperidinyl]-2-piperazinecarboxamide IUPAC Name: (2R)-4-[4-(dimethylamino)benzoyl]-N-[(3S)-2-oxopiperidin-3-yl]-1-(piperidin-1-ium-4-carbonyl)piperazine-2-carboxamide Traditional Name: (2R)-4-[4-(dimethylamino)benzoyl]-N-[(3S)-2-keto-3-piperidyl]-1-(piperidin-1-ium-4-carbonyl)piperazine-2-carboxamide Formula: C25H37N6O4+ MolecularWeight: 485.59908

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C(=O)N2CCN(C(C2)C(=O)NC3CCCNC3=O)C(=O)C4CC[NH2+]CC4

Isomeric SMILES

CN(C)C1=CC=C(C=C1)C(=O)N2CCN([C@H](C2)C(=O)N[C@H]3CCCNC3=O)C(=O)C4CC[NH2+]CC4

InChI

InChI=1S/C25H36N6O4/c1-29(2)19-7-5-17(6-8-19)24(34)30-14-15-31(25(35)18-9-12-26-13-10-18)21(16-30)23(33)28-20-4-3-11-27-22(20)32/h5-8,18,20-21,26H,3-4,9-16H2,1-2H3,(H,27,32)(H,28,33)/p+1/t20-,21+/m0/s1