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

Systemtic Name: (2S)-N-[(3S)-2-oxidanylidenepiperidin-3-yl]-4-(phenylcarbonyl)-1-piperidin-1-ium-4-ylcarbonyl-piperazine-2-carboxamide Openeye Name: (2S)-4-benzoyl-N-[(3S)-2-oxo-3-piperidyl]-1-(piperidin-1-ium-4-carbonyl)piperazine-2-carboxamide CAS Name: (2S)-4-benzoyl-1-[oxo(4-piperidin-1-iumyl)methyl]-N-[(3S)-2-oxo-3-piperidinyl]-2-piperazinecarboxamide IUPAC Name: (2S)-4-benzoyl-N-[(3S)-2-oxopiperidin-3-yl]-1-(piperidin-1-ium-4-carbonyl)piperazine-2-carboxamide Traditional Name: (2S)-4-benzoyl-N-[(3S)-2-keto-3-piperidyl]-1-(piperidin-1-ium-4-carbonyl)piperazine-2-carboxamide Formula: C23H32N5O4+ MolecularWeight: 442.53128

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H31N5O4/c29-20-18(7-4-10-25-20)26-21(30)19-15-27(22(31)16-5-2-1-3-6-16)13-14-28(19)23(32)17-8-11-24-12-9-17/h1-3,5-6,17-19,24H,4,7-15H2,(H,25,29)(H,26,30)/p+1/t18-,19-/m0/s1