N-(2,6-dimethylphenyl)-2-[4-[2-(phenylcarbonyl)phenyl]carbonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2,6-dimethylphenyl)-2-[4-[2-(phenylcarbonyl)phenyl]carbonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: 2-[4-(2-benzoylbenzoyl)piperazin-1-ium-1-yl]-N-(2,6-dimethylphenyl)acetamide CAS Name: 2-[4-[(2-benzoylphenyl)-oxomethyl]-1-piperazin-1-iumyl]-N-(2,6-dimethylphenyl)acetamide IUPAC Name: 2-[4-(2-benzoylbenzoyl)piperazin-1-ium-1-yl]-N-(2,6-dimethylphenyl)acetamide Traditional Name: 2-[4-(2-benzoylbenzoyl)piperazin-1-ium-1-yl]-N-(2,6-dimethylphenyl)acetamide Formula: C28H30N3O3+ MolecularWeight: 456.5561

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)C[NH+]2CCN(CC2)C(=O)C3=CC=CC=C3C(=O)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)C[NH+]2CCN(CC2)C(=O)C3=CC=CC=C3C(=O)C4=CC=CC=C4

InChI

InChI=1S/C28H29N3O3/c1-20-9-8-10-21(2)26(20)29-25(32)19-30-15-17-31(18-16-30)28(34)24-14-7-6-13-23(24)27(33)22-11-4-3-5-12-22/h3-14H,15-19H2,1-2H3,(H,29,32)/p+1