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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=C(C=C1OC)NC(=O)CC2=CC=CC=[NH+]2)O.[Cl-]

Isomeric SMILES

CC(=O)NC1=CC(=C(C=C1OC)NC(=O)CC2=CC=CC=[NH+]2)O.[Cl-]

InChI

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