2-[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanoyl]piperazin-1-ium-1-yl]-N-(2,6-dimethylphenyl)ethanamide

Systemtic Name: 2-[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanoyl]piperazin-1-ium-1-yl]-N-(2,6-dimethylphenyl)ethanamide Openeye Name: 2-[4-[2-(3,5-dimethylisoxazol-4-yl)acetyl]piperazin-1-ium-1-yl]-N-(2,6-dimethylphenyl)acetamide CAS Name: 2-[4-[2-(3,5-dimethyl-4-isoxazolyl)-1-oxoethyl]-1-piperazin-1-iumyl]-N-(2,6-dimethylphenyl)acetamide IUPAC Name: 2-[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperazin-1-ium-1-yl]-N-(2,6-dimethylphenyl)acetamide Traditional Name: 2-[4-[2-(3,5-dimethylisoxazol-4-yl)acetyl]piperazin-1-ium-1-yl]-N-(2,6-dimethylphenyl)acetamide Formula: C21H29N4O3+ MolecularWeight: 385.47996

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)C[NH+]2CCN(CC2)C(=O)CC3=C(ON=C3C)C

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)C[NH+]2CCN(CC2)C(=O)CC3=C(ON=C3C)C

InChI

InChI=1S/C21H28N4O3/c1-14-6-5-7-15(2)21(14)22-19(26)13-24-8-10-25(11-9-24)20(27)12-18-16(3)23-28-17(18)4/h5-7H,8-13H2,1-4H3,(H,22,26)/p+1