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

Systemtic Name: 2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-ium-1-yl]-N-(5-methyl-2-phenyl-pyrazol-3-yl)ethanamide Openeye Name: 2-[4-[(5-methylisoxazol-3-yl)methyl]piperazin-1-ium-1-yl]-N-(5-methyl-2-phenyl-pyrazol-3-yl)acetamide CAS Name: 2-[4-[(5-methyl-3-isoxazolyl)methyl]-1-piperazin-1-iumyl]-N-(5-methyl-2-phenyl-3-pyrazolyl)acetamide IUPAC Name: 2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-ium-1-yl]-N-(5-methyl-2-phenylpyrazol-3-yl)acetamide Traditional Name: 2-[4-[(5-methylisoxazol-3-yl)methyl]piperazin-1-ium-1-yl]-N-(5-methyl-2-phenyl-pyrazol-3-yl)acetamide Formula: C21H27N6O2+ MolecularWeight: 395.47808

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)CN2CC[NH+](CC2)CC(=O)NC3=CC(=NN3C4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=NO1)CN2CC[NH+](CC2)CC(=O)NC3=CC(=NN3C4=CC=CC=C4)C

InChI

InChI=1S/C21H26N6O2/c1-16-12-20(27(23-16)19-6-4-3-5-7-19)22-21(28)15-26-10-8-25(9-11-26)14-18-13-17(2)29-24-18/h3-7,12-13H,8-11,14-15H2,1-2H3,(H,22,28)/p+1