N-(5-methyl-1,2-oxazol-3-yl)-2-[4-[2-(1-phenylpyrazol-4-yl)ethanoyl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(5-methyl-1,2-oxazol-3-yl)-2-[4-[2-(1-phenylpyrazol-4-yl)ethanoyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(5-methylisoxazol-3-yl)-2-[4-[2-(1-phenylpyrazol-4-yl)acetyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-(5-methyl-3-isoxazolyl)-2-[4-[1-oxo-2-(1-phenyl-4-pyrazolyl)ethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(5-methyl-1,2-oxazol-3-yl)-2-[4-[2-(1-phenylpyrazol-4-yl)acetyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-(5-methylisoxazol-3-yl)-2-[4-[2-(1-phenylpyrazol-4-yl)acetyl]piperazin-1-ium-1-yl]acetamide Formula: C21H25N6O3+ MolecularWeight: 409.4616

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NC(=O)C[NH+]2CCN(CC2)C(=O)CC3=CN(N=C3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC(=NO1)NC(=O)C[NH+]2CCN(CC2)C(=O)CC3=CN(N=C3)C4=CC=CC=C4

InChI

InChI=1S/C21H24N6O3/c1-16-11-19(24-30-16)23-20(28)15-25-7-9-26(10-8-25)21(29)12-17-13-22-27(14-17)18-5-3-2-4-6-18/h2-6,11,13-14H,7-10,12,15H2,1H3,(H,23,24,28)/p+1