N-(4-iodanyl-2-methyl-phenyl)-2-(4-thiophen-2-ylcarbonylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-(4-iodanyl-2-methyl-phenyl)-2-(4-thiophen-2-ylcarbonylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-(4-iodo-2-methyl-phenyl)-2-[4-(thiophene-2-carbonyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(4-iodo-2-methylphenyl)-2-[4-[oxo(thiophen-2-yl)methyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(4-iodo-2-methylphenyl)-2-[4-(thiophene-2-carbonyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(4-iodo-2-methyl-phenyl)-2-[4-(2-thenoyl)piperazin-1-ium-1-yl]acetamide Formula: C18H21IN3O2S+ MolecularWeight: 470.34771

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)I)NC(=O)C[NH+]2CCN(CC2)C(=O)C3=CC=CS3

Isomeric SMILES

CC1=C(C=CC(=C1)I)NC(=O)C[NH+]2CCN(CC2)C(=O)C3=CC=CS3

InChI

InChI=1S/C18H20IN3O2S/c1-13-11-14(19)4-5-15(13)20-17(23)12-21-6-8-22(9-7-21)18(24)16-3-2-10-25-16/h2-5,10-11H,6-9,12H2,1H3,(H,20,23)/p+1