N-[4-acetamido-3,5-bis(chloranyl)-2-oxidanyl-phenyl]-2-pyridin-1-ium-2-yl-ethanamide chloride

Systemtic Name: N-[4-acetamido-3,5-bis(chloranyl)-2-oxidanyl-phenyl]-2-pyridin-1-ium-2-yl-ethanamide chloride Openeye Name: N-(4-acetamido-3,5-dichloro-2-hydroxy-phenyl)-2-pyridin-1-ium-2-yl-acetamide chloride CAS Name: N-(4-acetamido-3,5-dichloro-2-hydroxyphenyl)-2-(2-pyridin-1-iumyl)acetamide chloride IUPAC Name: N-(4-acetamido-3,5-dichloro-2-hydroxyphenyl)-2-pyridin-1-ium-2-ylacetamide chloride Traditional Name: N-(4-acetamido-3,5-dichloro-2-hydroxy-phenyl)-2-pyridin-1-ium-2-yl-acetamide chloride Formula: C15H14Cl3N3O3 MolecularWeight: 390.64896

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=C(C(=C1Cl)O)NC(=O)CC2=CC=CC=[NH+]2)Cl.[Cl-]

Isomeric SMILES

CC(=O)NC1=C(C=C(C(=C1Cl)O)NC(=O)CC2=CC=CC=[NH+]2)Cl.[Cl-]

InChI

InChI=1S/C15H13Cl2N3O3.ClH/c1-8(21)19-14-10(16)7-11(15(23)13(14)17)20-12(22)6-9-4-2-3-5-18-9;/h2-5,7,23H,6H2,1H3,(H,19,21)(H,20,22);1H