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

Systemtic Name: 2-[(2R)-3-oxidanylidene-1-[(3-phenoxyphenyl)methyl]piperazin-1-ium-2-yl]-N-(2-pyridin-2-ylethyl)ethanamide Openeye Name: 2-[(2R)-3-oxo-1-[(3-phenoxyphenyl)methyl]piperazin-1-ium-2-yl]-N-[2-(2-pyridyl)ethyl]acetamide CAS Name: 2-[(2R)-3-oxo-1-[(3-phenoxyphenyl)methyl]-2-piperazin-1-iumyl]-N-[2-(2-pyridinyl)ethyl]acetamide IUPAC Name: 2-[(2R)-3-oxo-1-[(3-phenoxyphenyl)methyl]piperazin-1-ium-2-yl]-N-(2-pyridin-2-ylethyl)acetamide Traditional Name: 2-[(2R)-3-keto-1-(3-phenoxybenzyl)piperazin-1-ium-2-yl]-N-[2-(2-pyridyl)ethyl]acetamide Formula: C26H29N4O3+ MolecularWeight: 445.53346

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](C(C(=O)N1)CC(=O)NCCC2=CC=CC=N2)CC3=CC(=CC=C3)OC4=CC=CC=C4

Isomeric SMILES

C1C[NH+]([C@@H](C(=O)N1)CC(=O)NCCC2=CC=CC=N2)CC3=CC(=CC=C3)OC4=CC=CC=C4

InChI

InChI=1S/C26H28N4O3/c31-25(28-14-12-21-8-4-5-13-27-21)18-24-26(32)29-15-16-30(24)19-20-7-6-11-23(17-20)33-22-9-2-1-3-10-22/h1-11,13,17,24H,12,14-16,18-19H2,(H,28,31)(H,29,32)/p+1/t24-/m1/s1