N-(4-acetamido-3-oxidanyl-phenyl)-1-methyl-pyridin-1-ium-2-carboxamide chloride

Systemtic Name: N-(4-acetamido-3-oxidanyl-phenyl)-1-methyl-pyridin-1-ium-2-carboxamide chloride Openeye Name: N-(4-acetamido-3-hydroxy-phenyl)-1-methyl-pyridin-1-ium-2-carboxamide chloride CAS Name: N-(4-acetamido-3-hydroxyphenyl)-1-methyl-2-pyridin-1-iumcarboxamide chloride IUPAC Name: N-(4-acetamido-3-hydroxyphenyl)-1-methylpyridin-1-ium-2-carboxamide chloride Traditional Name: N-(4-acetamido-3-hydroxy-phenyl)-1-methyl-pyridin-1-ium-2-carboxamide chloride Formula: C15H16ClN3O3 MolecularWeight: 321.75884

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H15N3O3.ClH/c1-10(19)16-12-7-6-11(9-14(12)20)17-15(21)13-5-3-4-8-18(13)2;/h3-9H,1-2H3,(H2,17,20,21);1H