N-(5-methyl-1,2-oxazol-3-yl)-2-[4-[(5-phenyl-1H-pyrazol-4-yl)carbonyl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(5-methyl-1,2-oxazol-3-yl)-2-[4-[(5-phenyl-1H-pyrazol-4-yl)carbonyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(5-methylisoxazol-3-yl)-2-[4-(5-phenyl-1H-pyrazole-4-carbonyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(5-methyl-3-isoxazolyl)-2-[4-[oxo-(5-phenyl-1H-pyrazol-4-yl)methyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(5-methyl-1,2-oxazol-3-yl)-2-[4-(5-phenyl-1H-pyrazole-4-carbonyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(5-methylisoxazol-3-yl)-2-[4-(5-phenyl-1H-pyrazole-4-carbonyl)piperazin-1-ium-1-yl]acetamide Formula: C20H23N6O3+ MolecularWeight: 395.43502

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N6O3/c1-14-11-17(24-29-14)22-18(27)13-25-7-9-26(10-8-25)20(28)16-12-21-23-19(16)15-5-3-2-4-6-15/h2-6,11-12H,7-10,13H2,1H3,(H,21,23)(H,22,24,27)/p+1