N-phenyl-2-[4-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanoyl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-phenyl-2-[4-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanoyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-phenyl-2-[4-[3-[3-(4-pyridyl)-1,2,4-oxadiazol-5-yl]propanoyl]piperazin-1-ium-1-yl]acetamide CAS Name: 2-[4-[1-oxo-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propyl]-1-piperazin-1-iumyl]-N-phenylacetamide IUPAC Name: N-phenyl-2-[4-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanoyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-phenyl-2-[4-[3-[3-(4-pyridyl)-1,2,4-oxadiazol-5-yl]propanoyl]piperazin-1-ium-1-yl]acetamide Formula: C22H25N6O3+ MolecularWeight: 421.4723

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=CC=CC=C2)C(=O)CCC3=NC(=NO3)C4=CC=NC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC=CC=C2)C(=O)CCC3=NC(=NO3)C4=CC=NC=C4

InChI

InChI=1S/C22H24N6O3/c29-19(24-18-4-2-1-3-5-18)16-27-12-14-28(15-13-27)21(30)7-6-20-25-22(26-31-20)17-8-10-23-11-9-17/h1-5,8-11H,6-7,12-16H2,(H,24,29)/p+1