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

Systemtic Name: 2-[(2R)-3-oxidanylidene-1-[(3-phenoxyphenyl)methyl]piperazin-1-ium-2-yl]-N-(pyridin-2-ylmethyl)ethanamide Openeye Name: 2-[(2R)-3-oxo-1-[(3-phenoxyphenyl)methyl]piperazin-1-ium-2-yl]-N-(2-pyridylmethyl)acetamide CAS Name: 2-[(2R)-3-oxo-1-[(3-phenoxyphenyl)methyl]-2-piperazin-1-iumyl]-N-(2-pyridinylmethyl)acetamide IUPAC Name: 2-[(2R)-3-oxo-1-[(3-phenoxyphenyl)methyl]piperazin-1-ium-2-yl]-N-(pyridin-2-ylmethyl)acetamide Traditional Name: 2-[(2R)-3-keto-1-(3-phenoxybenzyl)piperazin-1-ium-2-yl]-N-(2-pyridylmethyl)acetamide Formula: C25H27N4O3+ MolecularWeight: 431.50688

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](C(C(=O)N1)CC(=O)NCC2=CC=CC=N2)CC3=CC(=CC=C3)OC4=CC=CC=C4

Isomeric SMILES

C1C[NH+]([C@@H](C(=O)N1)CC(=O)NCC2=CC=CC=N2)CC3=CC(=CC=C3)OC4=CC=CC=C4

InChI

InChI=1S/C25H26N4O3/c30-24(28-17-20-8-4-5-12-26-20)16-23-25(31)27-13-14-29(23)18-19-7-6-11-22(15-19)32-21-9-2-1-3-10-21/h1-12,15,23H,13-14,16-18H2,(H,27,31)(H,28,30)/p+1/t23-/m1/s1