2-[4-(3-acetamidophenyl)carbonylpiperazin-1-ium-1-yl]-N-(2,6-dimethylphenyl)ethanamide

Systemtic Name: 2-[4-(3-acetamidophenyl)carbonylpiperazin-1-ium-1-yl]-N-(2,6-dimethylphenyl)ethanamide Openeye Name: 2-[4-(3-acetamidobenzoyl)piperazin-1-ium-1-yl]-N-(2,6-dimethylphenyl)acetamide CAS Name: 2-[4-[(3-acetamidophenyl)-oxomethyl]-1-piperazin-1-iumyl]-N-(2,6-dimethylphenyl)acetamide IUPAC Name: 2-[4-(3-acetamidobenzoyl)piperazin-1-ium-1-yl]-N-(2,6-dimethylphenyl)acetamide Traditional Name: 2-[4-(3-acetamidobenzoyl)piperazin-1-ium-1-yl]-N-(2,6-dimethylphenyl)acetamide Formula: C23H29N4O3+ MolecularWeight: 409.50136

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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=C3)NC(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C23H28N4O3/c1-16-6-4-7-17(2)22(16)25-21(29)15-26-10-12-27(13-11-26)23(30)19-8-5-9-20(14-19)24-18(3)28/h4-9,14H,10-13,15H2,1-3H3,(H,24,28)(H,25,29)/p+1