2-[4-(3-acetamidophenyl)carbonylpiperazin-1-ium-1-yl]-N-(2-ethylphenyl)ethanamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)C[NH+]2CCN(CC2)C(=O)C3=CC(=CC=C3)NC(=O)C

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)C[NH+]2CCN(CC2)C(=O)C3=CC(=CC=C3)NC(=O)C

InChI

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