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

Systemtic Name: (2S)-4-(4-cyanophenyl)carbonyl-N-[(3S)-2-oxidanylidenepiperidin-3-yl]-1-piperidin-1-ium-4-ylcarbonyl-piperazine-2-carboxamide Openeye Name: (2S)-4-(4-cyanobenzoyl)-N-[(3S)-2-oxo-3-piperidyl]-1-(piperidin-1-ium-4-carbonyl)piperazine-2-carboxamide CAS Name: (2S)-4-[(4-cyanophenyl)-oxomethyl]-1-[oxo(4-piperidin-1-iumyl)methyl]-N-[(3S)-2-oxo-3-piperidinyl]-2-piperazinecarboxamide IUPAC Name: (2S)-4-(4-cyanobenzoyl)-N-[(3S)-2-oxopiperidin-3-yl]-1-(piperidin-1-ium-4-carbonyl)piperazine-2-carboxamide Traditional Name: (2S)-4-(4-cyanobenzoyl)-N-[(3S)-2-keto-3-piperidyl]-1-(piperidin-1-ium-4-carbonyl)piperazine-2-carboxamide Formula: C24H31N6O4+ MolecularWeight: 467.54074

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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=CC=C(C=C4)C#N

Isomeric SMILES

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

InChI

InChI=1S/C24H30N6O4/c25-14-16-3-5-17(6-4-16)23(33)29-12-13-30(24(34)18-7-10-26-11-8-18)20(15-29)22(32)28-19-2-1-9-27-21(19)31/h3-6,18-20,26H,1-2,7-13,15H2,(H,27,31)(H,28,32)/p+1/t19-,20-/m0/s1