N-(2,5-dimethylphenyl)-2-[4-(phenylcarbonyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2,5-dimethylphenyl)-2-[4-(phenylcarbonyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: 2-(4-benzoylpiperazin-1-ium-1-yl)-N-(2,5-dimethylphenyl)acetamide CAS Name: 2-(4-benzoyl-1-piperazin-1-iumyl)-N-(2,5-dimethylphenyl)acetamide IUPAC Name: 2-(4-benzoylpiperazin-1-ium-1-yl)-N-(2,5-dimethylphenyl)acetamide Traditional Name: 2-(4-benzoylpiperazin-1-ium-1-yl)-N-(2,5-dimethylphenyl)acetamide Formula: C21H26N3O2+ MolecularWeight: 352.45004

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=O)C[NH+]2CCN(CC2)C(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=O)C[NH+]2CCN(CC2)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H25N3O2/c1-16-8-9-17(2)19(14-16)22-20(25)15-23-10-12-24(13-11-23)21(26)18-6-4-3-5-7-18/h3-9,14H,10-13,15H2,1-2H3,(H,22,25)/p+1