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

Systemtic Name: N-(4-acetamido-2-methoxy-5-oxidanyl-phenyl)-2-pyridin-1-ium-1-yl-ethanamide chloride Openeye Name: N-(4-acetamido-5-hydroxy-2-methoxy-phenyl)-2-pyridin-1-ium-1-yl-acetamide chloride CAS Name: N-(4-acetamido-5-hydroxy-2-methoxyphenyl)-2-(1-pyridin-1-iumyl)acetamide chloride IUPAC Name: N-(4-acetamido-5-hydroxy-2-methoxyphenyl)-2-pyridin-1-ium-1-ylacetamide chloride Traditional Name: N-(4-acetamido-5-hydroxy-2-methoxy-phenyl)-2-pyridin-1-ium-1-yl-acetamide chloride Formula: C16H18ClN3O4 MolecularWeight: 351.78482

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17N3O4.ClH/c1-11(20)17-12-9-15(23-2)13(8-14(12)21)18-16(22)10-19-6-4-3-5-7-19;/h3-9H,10H2,1-2H3,(H2-,17,18,20,21,22);1H