N-(4-acetamido-2-methoxy-5-oxidanyl-phenyl)-1-methyl-pyridin-1-ium-2-carboxamide

Systemtic Name: N-(4-acetamido-2-methoxy-5-oxidanyl-phenyl)-1-methyl-pyridin-1-ium-2-carboxamide Openeye Name: N-(4-acetamido-5-hydroxy-2-methoxy-phenyl)-1-methyl-pyridin-1-ium-2-carboxamide CAS Name: N-(4-acetamido-5-hydroxy-2-methoxyphenyl)-1-methyl-2-pyridin-1-iumcarboxamide IUPAC Name: N-(4-acetamido-5-hydroxy-2-methoxyphenyl)-1-methylpyridin-1-ium-2-carboxamide Traditional Name: N-(4-acetamido-5-hydroxy-2-methoxy-phenyl)-1-methyl-pyridin-1-ium-2-carboxamide Formula: C16H18N3O4+ MolecularWeight: 316.33182

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17N3O4/c1-10(20)17-11-9-15(23-3)12(8-14(11)21)18-16(22)13-6-4-5-7-19(13)2/h4-9H,1-3H3,(H2,18,21,22)/p+1