2-[(2R)-3-oxidanylidene-1-(pyridin-2-ylmethyl)piperazin-1-ium-2-yl]-N-[(1-phenylcyclopentyl)methyl]ethanamide

Systemtic Name: 2-[(2R)-3-oxidanylidene-1-(pyridin-2-ylmethyl)piperazin-1-ium-2-yl]-N-[(1-phenylcyclopentyl)methyl]ethanamide Openeye Name: 2-[(2R)-3-oxo-1-(2-pyridylmethyl)piperazin-1-ium-2-yl]-N-[(1-phenylcyclopentyl)methyl]acetamide CAS Name: 2-[(2R)-3-oxo-1-(2-pyridinylmethyl)-2-piperazin-1-iumyl]-N-[(1-phenylcyclopentyl)methyl]acetamide IUPAC Name: 2-[(2R)-3-oxo-1-(pyridin-2-ylmethyl)piperazin-1-ium-2-yl]-N-[(1-phenylcyclopentyl)methyl]acetamide Traditional Name: 2-[(2R)-3-keto-1-(2-pyridylmethyl)piperazin-1-ium-2-yl]-N-[(1-phenylcyclopentyl)methyl]acetamide Formula: C24H31N4O2+ MolecularWeight: 407.52854

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)(CNC(=O)CC2C(=O)NCC[NH+]2CC3=CC=CC=N3)C4=CC=CC=C4

Isomeric SMILES

C1CCC(C1)(CNC(=O)C[C@@H]2C(=O)NCC[NH+]2CC3=CC=CC=N3)C4=CC=CC=C4

InChI

InChI=1S/C24H30N4O2/c29-22(27-18-24(11-5-6-12-24)19-8-2-1-3-9-19)16-21-23(30)26-14-15-28(21)17-20-10-4-7-13-25-20/h1-4,7-10,13,21H,5-6,11-12,14-18H2,(H,26,30)(H,27,29)/p+1/t21-/m1/s1