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

Systemtic Name: N-(5-methyl-1,2-oxazol-3-yl)-2-[4-(4-propan-2-ylphenyl)carbonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: 2-[4-(4-isopropylbenzoyl)piperazin-1-ium-1-yl]-N-(5-methylisoxazol-3-yl)acetamide CAS Name: N-(5-methyl-3-isoxazolyl)-2-[4-[oxo-(4-propan-2-ylphenyl)methyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(5-methyl-1,2-oxazol-3-yl)-2-[4-(4-propan-2-ylbenzoyl)piperazin-1-ium-1-yl]acetamide Traditional Name: 2-(4-cumoylpiperazin-1-ium-1-yl)-N-(5-methylisoxazol-3-yl)acetamide Formula: C20H27N4O3+ MolecularWeight: 371.45338

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N4O3/c1-14(2)16-4-6-17(7-5-16)20(26)24-10-8-23(9-11-24)13-19(25)21-18-12-15(3)27-22-18/h4-7,12,14H,8-11,13H2,1-3H3,(H,21,22,25)/p+1