N-(5-methyl-1,2-oxazol-3-yl)-2-[4-[4-(phenylcarbonyl)phenyl]carbonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(5-methyl-1,2-oxazol-3-yl)-2-[4-[4-(phenylcarbonyl)phenyl]carbonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: 2-[4-(4-benzoylbenzoyl)piperazin-1-ium-1-yl]-N-(5-methylisoxazol-3-yl)acetamide CAS Name: 2-[4-[(4-benzoylphenyl)-oxomethyl]-1-piperazin-1-iumyl]-N-(5-methyl-3-isoxazolyl)acetamide IUPAC Name: 2-[4-(4-benzoylbenzoyl)piperazin-1-ium-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide Traditional Name: 2-[4-(4-benzoylbenzoyl)piperazin-1-ium-1-yl]-N-(5-methylisoxazol-3-yl)acetamide Formula: C24H25N4O4+ MolecularWeight: 433.4797

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NC(=O)C[NH+]2CCN(CC2)C(=O)C3=CC=C(C=C3)C(=O)C4=CC=CC=C4

Isomeric SMILES

CC1=CC(=NO1)NC(=O)C[NH+]2CCN(CC2)C(=O)C3=CC=C(C=C3)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C24H24N4O4/c1-17-15-21(26-32-17)25-22(29)16-27-11-13-28(14-12-27)24(31)20-9-7-19(8-10-20)23(30)18-5-3-2-4-6-18/h2-10,15H,11-14,16H2,1H3,(H,25,26,29)/p+1