2-[4-(3-iodanylphenyl)carbonylpiperazin-1-ium-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)ethanamide

Systemtic Name: 2-[4-(3-iodanylphenyl)carbonylpiperazin-1-ium-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)ethanamide Openeye Name: 2-[4-(3-iodobenzoyl)piperazin-1-ium-1-yl]-N-(5-methylisoxazol-3-yl)acetamide CAS Name: 2-[4-[(3-iodophenyl)-oxomethyl]-1-piperazin-1-iumyl]-N-(5-methyl-3-isoxazolyl)acetamide IUPAC Name: 2-[4-(3-iodobenzoyl)piperazin-1-ium-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide Traditional Name: 2-[4-(3-iodobenzoyl)piperazin-1-ium-1-yl]-N-(5-methylisoxazol-3-yl)acetamide Formula: C17H20IN4O3+ MolecularWeight: 455.27017

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NC(=O)C[NH+]2CCN(CC2)C(=O)C3=CC(=CC=C3)I

Isomeric SMILES

CC1=CC(=NO1)NC(=O)C[NH+]2CCN(CC2)C(=O)C3=CC(=CC=C3)I

InChI

InChI=1S/C17H19IN4O3/c1-12-9-15(20-25-12)19-16(23)11-21-5-7-22(8-6-21)17(24)13-3-2-4-14(18)10-13/h2-4,9-10H,5-8,11H2,1H3,(H,19,20,23)/p+1