2-[4-(2-methyl-2-phenyl-propanoyl)piperazin-1-ium-1-yl]-N-(2-methylpropylcarbamoyl)ethanamide

Systemtic Name: 2-[4-(2-methyl-2-phenyl-propanoyl)piperazin-1-ium-1-yl]-N-(2-methylpropylcarbamoyl)ethanamide Openeye Name: N-(isobutylcarbamoyl)-2-[4-(2-methyl-2-phenyl-propanoyl)piperazin-1-ium-1-yl]acetamide CAS Name: 2-[4-(2-methyl-1-oxo-2-phenylpropyl)-1-piperazin-1-iumyl]-N-[(2-methylpropylamino)-oxomethyl]acetamide IUPAC Name: 2-[4-(2-methyl-2-phenylpropanoyl)piperazin-1-ium-1-yl]-N-(2-methylpropylcarbamoyl)acetamide Traditional Name: N-(isobutylcarbamoyl)-2-[4-(2-methyl-2-phenyl-propanoyl)piperazin-1-ium-1-yl]acetamide Formula: C21H33N4O3+ MolecularWeight: 389.51172

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H32N4O3/c1-16(2)14-22-20(28)23-18(26)15-24-10-12-25(13-11-24)19(27)21(3,4)17-8-6-5-7-9-17/h5-9,16H,10-15H2,1-4H3,(H2,22,23,26,28)/p+1