4-[2-[4-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperazin-1-ium-1-yl]ethanoylamino]-N-methyl-benzamide

Systemtic Name: 4-[2-[4-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperazin-1-ium-1-yl]ethanoylamino]-N-methyl-benzamide Openeye Name: 4-[[2-[4-[4-cyano-2-(2-furyl)oxazol-5-yl]piperazin-1-ium-1-yl]acetyl]amino]-N-methyl-benzamide CAS Name: 4-[[2-[4-[4-cyano-2-(2-furanyl)-5-oxazolyl]-1-piperazin-1-iumyl]-1-oxoethyl]amino]-N-methylbenzamide IUPAC Name: 4-[[2-[4-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperazin-1-ium-1-yl]acetyl]amino]-N-methylbenzamide Traditional Name: 4-[[2-[4-[4-cyano-2-(2-furyl)oxazol-5-yl]piperazin-1-ium-1-yl]acetyl]amino]-N-methyl-benzamide Formula: C22H23N6O4+ MolecularWeight: 435.45582

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=CC=C(C=C1)NC(=O)C[NH+]2CCN(CC2)C3=C(N=C(O3)C4=CC=CO4)C#N

Isomeric SMILES

CNC(=O)C1=CC=C(C=C1)NC(=O)C[NH+]2CCN(CC2)C3=C(N=C(O3)C4=CC=CO4)C#N

InChI

InChI=1S/C22H22N6O4/c1-24-20(30)15-4-6-16(7-5-15)25-19(29)14-27-8-10-28(11-9-27)22-17(13-23)26-21(32-22)18-3-2-12-31-18/h2-7,12H,8-11,14H2,1H3,(H,24,30)(H,25,29)/p+1