2-[4-(4-ethanoylphenyl)piperazin-1-ium-1-yl]-N-(propan-2-ylcarbamoyl)ethanamide

Systemtic Name: 2-[4-(4-ethanoylphenyl)piperazin-1-ium-1-yl]-N-(propan-2-ylcarbamoyl)ethanamide Openeye Name: 2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-N-(isopropylcarbamoyl)acetamide CAS Name: 2-[4-(4-acetylphenyl)-1-piperazin-1-iumyl]-N-[oxo-(propan-2-ylamino)methyl]acetamide IUPAC Name: 2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-N-(propan-2-ylcarbamoyl)acetamide Traditional Name: 2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-N-(isopropylcarbamoyl)acetamide Formula: C18H27N4O3+ MolecularWeight: 347.43198

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)NC(=O)C[NH+]1CCN(CC1)C2=CC=C(C=C2)C(=O)C

Isomeric SMILES

CC(C)NC(=O)NC(=O)C[NH+]1CCN(CC1)C2=CC=C(C=C2)C(=O)C

InChI

InChI=1S/C18H26N4O3/c1-13(2)19-18(25)20-17(24)12-21-8-10-22(11-9-21)16-6-4-15(5-7-16)14(3)23/h4-7,13H,8-12H2,1-3H3,(H2,19,20,24,25)/p+1