N-(4-methylphenyl)-2-[4-[2-(2-oxidanylidene-1,3-benzoxazol-3-yl)ethanoyl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(4-methylphenyl)-2-[4-[2-(2-oxidanylidene-1,3-benzoxazol-3-yl)ethanoyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: 2-[4-[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]piperazin-1-ium-1-yl]-N-(p-tolyl)acetamide CAS Name: N-(4-methylphenyl)-2-[4-[1-oxo-2-(2-oxo-1,3-benzoxazol-3-yl)ethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(4-methylphenyl)-2-[4-[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]piperazin-1-ium-1-yl]acetamide Traditional Name: 2-[4-[2-(2-keto-1,3-benzoxazol-3-yl)acetyl]piperazin-1-ium-1-yl]-N-(p-tolyl)acetamide Formula: C22H25N4O4+ MolecularWeight: 409.4583

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C[NH+]2CCN(CC2)C(=O)CN3C4=CC=CC=C4OC3=O

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)C[NH+]2CCN(CC2)C(=O)CN3C4=CC=CC=C4OC3=O

InChI

InChI=1S/C22H24N4O4/c1-16-6-8-17(9-7-16)23-20(27)14-24-10-12-25(13-11-24)21(28)15-26-18-4-2-3-5-19(18)30-22(26)29/h2-9H,10-15H2,1H3,(H,23,27)/p+1