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

Systemtic Name: N-(5-methyl-1,2-oxazol-3-yl)-2-[4-(4-pyrazol-1-ylphenyl)carbonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-(5-methylisoxazol-3-yl)-2-[4-(4-pyrazol-1-ylbenzoyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(5-methyl-3-isoxazolyl)-2-[4-[oxo-[4-(1-pyrazolyl)phenyl]methyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(5-methyl-1,2-oxazol-3-yl)-2-[4-(4-pyrazol-1-ylbenzoyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(5-methylisoxazol-3-yl)-2-[4-(4-pyrazol-1-ylbenzoyl)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=CC=C(C=C3)N4C=CC=N4

Isomeric SMILES

CC1=CC(=NO1)NC(=O)C[NH+]2CCN(CC2)C(=O)C3=CC=C(C=C3)N4C=CC=N4

InChI

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