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

Systemtic Name: 2-[(2R)-3-oxidanylidene-1-[(3-phenoxyphenyl)methyl]piperazin-1-ium-2-yl]-N-(pyridin-3-ylmethyl)ethanamide Openeye Name: 2-[(2R)-3-oxo-1-[(3-phenoxyphenyl)methyl]piperazin-1-ium-2-yl]-N-(3-pyridylmethyl)acetamide CAS Name: 2-[(2R)-3-oxo-1-[(3-phenoxyphenyl)methyl]-2-piperazin-1-iumyl]-N-(3-pyridinylmethyl)acetamide IUPAC Name: 2-[(2R)-3-oxo-1-[(3-phenoxyphenyl)methyl]piperazin-1-ium-2-yl]-N-(pyridin-3-ylmethyl)acetamide Traditional Name: 2-[(2R)-3-keto-1-(3-phenoxybenzyl)piperazin-1-ium-2-yl]-N-(3-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=CN=CC=C2)CC3=CC(=CC=C3)OC4=CC=CC=C4

Isomeric SMILES

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

InChI

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