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

Systemtic Name: N-(5-methyl-1,2-oxazol-3-yl)-2-[4-[1-(phenylmethyl)pyrazol-4-yl]carbonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: 2-[4-(1-benzylpyrazole-4-carbonyl)piperazin-1-ium-1-yl]-N-(5-methylisoxazol-3-yl)acetamide CAS Name: N-(5-methyl-3-isoxazolyl)-2-[4-[oxo-[1-(phenylmethyl)-4-pyrazolyl]methyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: 2-[4-(1-benzylpyrazole-4-carbonyl)piperazin-1-ium-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide Traditional Name: 2-[4-(1-benzylpyrazole-4-carbonyl)piperazin-1-ium-1-yl]-N-(5-methylisoxazol-3-yl)acetamide Formula: C21H25N6O3+ MolecularWeight: 409.4616

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NC(=O)C[NH+]2CCN(CC2)C(=O)C3=CN(N=C3)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=NO1)NC(=O)C[NH+]2CCN(CC2)C(=O)C3=CN(N=C3)CC4=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)18-12-22-27(14-18)13-17-5-3-2-4-6-17/h2-6,11-12,14H,7-10,13,15H2,1H3,(H,23,24,28)/p+1