2-[(2R)-3-oxidanylidenepiperazin-1-ium-2-yl]-N-(4-phenoxyphenyl)ethanamide

Systemtic Name: 2-[(2R)-3-oxidanylidenepiperazin-1-ium-2-yl]-N-(4-phenoxyphenyl)ethanamide Openeye Name: 2-[(2R)-3-oxopiperazin-1-ium-2-yl]-N-(4-phenoxyphenyl)acetamide CAS Name: 2-[(2R)-3-oxo-2-piperazin-1-iumyl]-N-(4-phenoxyphenyl)acetamide IUPAC Name: 2-[(2R)-3-oxopiperazin-1-ium-2-yl]-N-(4-phenoxyphenyl)acetamide Traditional Name: 2-[(2R)-3-ketopiperazin-1-ium-2-yl]-N-(4-phenoxyphenyl)acetamide Formula: C18H20N3O3+ MolecularWeight: 326.3697

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Descriptors Computed from Structure

Canonical SMILES:

C1CNC(=O)C([NH2+]1)CC(=O)NC2=CC=C(C=C2)OC3=CC=CC=C3

Isomeric SMILES

C1CNC(=O)[C@H]([NH2+]1)CC(=O)NC2=CC=C(C=C2)OC3=CC=CC=C3

InChI

InChI=1S/C18H19N3O3/c22-17(12-16-18(23)20-11-10-19-16)21-13-6-8-15(9-7-13)24-14-4-2-1-3-5-14/h1-9,16,19H,10-12H2,(H,20,23)(H,21,22)/p+1/t16-/m1/s1