2-[(2R)-3-oxidanylidene-1-[(3-phenoxyphenyl)methyl]piperazin-1-ium-2-yl]-N-(pyrimidin-4-ylmethyl)ethanamide

Systemtic Name: 2-[(2R)-3-oxidanylidene-1-[(3-phenoxyphenyl)methyl]piperazin-1-ium-2-yl]-N-(pyrimidin-4-ylmethyl)ethanamide Openeye Name: 2-[(2R)-3-oxo-1-[(3-phenoxyphenyl)methyl]piperazin-1-ium-2-yl]-N-(pyrimidin-4-ylmethyl)acetamide CAS Name: 2-[(2R)-3-oxo-1-[(3-phenoxyphenyl)methyl]-2-piperazin-1-iumyl]-N-(4-pyrimidinylmethyl)acetamide IUPAC Name: 2-[(2R)-3-oxo-1-[(3-phenoxyphenyl)methyl]piperazin-1-ium-2-yl]-N-(pyrimidin-4-ylmethyl)acetamide Traditional Name: 2-[(2R)-3-keto-1-(3-phenoxybenzyl)piperazin-1-ium-2-yl]-N-(4-pyrimidylmethyl)acetamide Formula: C24H26N5O3+ MolecularWeight: 432.49494

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](C(C(=O)N1)CC(=O)NCC2=NC=NC=C2)CC3=CC(=CC=C3)OC4=CC=CC=C4

Isomeric SMILES

C1C[NH+]([C@@H](C(=O)N1)CC(=O)NCC2=NC=NC=C2)CC3=CC(=CC=C3)OC4=CC=CC=C4

InChI

InChI=1S/C24H25N5O3/c30-23(27-15-19-9-10-25-17-28-19)14-22-24(31)26-11-12-29(22)16-18-5-4-8-21(13-18)32-20-6-2-1-3-7-20/h1-10,13,17,22H,11-12,14-16H2,(H,26,31)(H,27,30)/p+1/t22-/m1/s1