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

Systemtic Name: 2-[4-[(3-methyl-1,2-oxazol-5-yl)carbonyl]piperazin-1-ium-1-yl]-N-(4-methylphenyl)ethanamide Openeye Name: 2-[4-(3-methylisoxazole-5-carbonyl)piperazin-1-ium-1-yl]-N-(p-tolyl)acetamide CAS Name: 2-[4-[(3-methyl-5-isoxazolyl)-oxomethyl]-1-piperazin-1-iumyl]-N-(4-methylphenyl)acetamide IUPAC Name: 2-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-ium-1-yl]-N-(4-methylphenyl)acetamide Traditional Name: 2-[4-(3-methylisoxazole-5-carbonyl)piperazin-1-ium-1-yl]-N-(p-tolyl)acetamide Formula: C18H23N4O3+ MolecularWeight: 343.40022

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C[NH+]2CCN(CC2)C(=O)C3=CC(=NO3)C

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)C[NH+]2CCN(CC2)C(=O)C3=CC(=NO3)C

InChI

InChI=1S/C18H22N4O3/c1-13-3-5-15(6-4-13)19-17(23)12-21-7-9-22(10-8-21)18(24)16-11-14(2)20-25-16/h3-6,11H,7-10,12H2,1-2H3,(H,19,23)/p+1