N-(2,6-dimethylphenyl)-2-[4-[2-(2-oxidanylidenepyridin-1-yl)ethanoyl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2,6-dimethylphenyl)-2-[4-[2-(2-oxidanylidenepyridin-1-yl)ethanoyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2,6-dimethylphenyl)-2-[4-[2-(2-oxo-1-pyridyl)acetyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-(2,6-dimethylphenyl)-2-[4-[1-oxo-2-(2-oxo-1-pyridinyl)ethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2,6-dimethylphenyl)-2-[4-[2-(2-oxopyridin-1-yl)acetyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2,6-dimethylphenyl)-2-[4-[2-(2-keto-1-pyridyl)acetyl]piperazin-1-ium-1-yl]acetamide Formula: C21H27N4O3+ MolecularWeight: 383.46408

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)C[NH+]2CCN(CC2)C(=O)CN3C=CC=CC3=O

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)C[NH+]2CCN(CC2)C(=O)CN3C=CC=CC3=O

InChI

InChI=1S/C21H26N4O3/c1-16-6-5-7-17(2)21(16)22-18(26)14-23-10-12-24(13-11-23)20(28)15-25-9-4-3-8-19(25)27/h3-9H,10-15H2,1-2H3,(H,22,26)/p+1