N-(4-acetamido-2-chloranyl-5-oxidanyl-phenyl)-2-pyridin-1-ium-1-yl-ethanamide

Systemtic Name: N-(4-acetamido-2-chloranyl-5-oxidanyl-phenyl)-2-pyridin-1-ium-1-yl-ethanamide Openeye Name: N-(4-acetamido-2-chloro-5-hydroxy-phenyl)-2-pyridin-1-ium-1-yl-acetamide CAS Name: N-(4-acetamido-2-chloro-5-hydroxyphenyl)-2-(1-pyridin-1-iumyl)acetamide IUPAC Name: N-(4-acetamido-2-chloro-5-hydroxyphenyl)-2-pyridin-1-ium-1-ylacetamide Traditional Name: N-(4-acetamido-2-chloro-5-hydroxy-phenyl)-2-pyridin-1-ium-1-yl-acetamide Formula: C15H15ClN3O3+ MolecularWeight: 320.7509

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=C(C(=C1)Cl)NC(=O)C[N+]2=CC=CC=C2)O

Isomeric SMILES

CC(=O)NC1=C(C=C(C(=C1)Cl)NC(=O)C[N+]2=CC=CC=C2)O

InChI

InChI=1S/C15H14ClN3O3/c1-10(20)17-13-7-11(16)12(8-14(13)21)18-15(22)9-19-5-3-2-4-6-19/h2-8H,9H2,1H3,(H2-,17,18,20,21,22)/p+1