N-(3-iodanylphenyl)-2-(4-pyridin-2-ylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-(3-iodanylphenyl)-2-(4-pyridin-2-ylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-(3-iodophenyl)-2-[4-(2-pyridyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(3-iodophenyl)-2-[4-(2-pyridinyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(3-iodophenyl)-2-(4-pyridin-2-ylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-(3-iodophenyl)-2-[4-(2-pyridyl)piperazin-1-ium-1-yl]acetamide Formula: C17H20IN4O+ MolecularWeight: 423.27137

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=CC(=CC=C2)I)C3=CC=CC=N3

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC(=CC=C2)I)C3=CC=CC=N3

InChI

InChI=1S/C17H19IN4O/c18-14-4-3-5-15(12-14)20-17(23)13-21-8-10-22(11-9-21)16-6-1-2-7-19-16/h1-7,12H,8-11,13H2,(H,20,23)/p+1