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

Systemtic Name: N-(4-acetamido-2-chloranyl-5-oxidanyl-phenyl)-1-methyl-pyridin-1-ium-2-carboxamide Openeye Name: N-(4-acetamido-2-chloro-5-hydroxy-phenyl)-1-methyl-pyridin-1-ium-2-carboxamide CAS Name: N-(4-acetamido-2-chloro-5-hydroxyphenyl)-1-methyl-2-pyridin-1-iumcarboxamide IUPAC Name: N-(4-acetamido-2-chloro-5-hydroxyphenyl)-1-methylpyridin-1-ium-2-carboxamide Traditional Name: N-(4-acetamido-2-chloro-5-hydroxy-phenyl)-1-methyl-pyridin-1-ium-2-carboxamide 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)C2=CC=CC=[N+]2C)O

Isomeric SMILES

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

InChI

InChI=1S/C15H14ClN3O3/c1-9(20)17-12-7-10(16)11(8-14(12)21)18-15(22)13-5-3-4-6-19(13)2/h3-8H,1-2H3,(H2,18,21,22)/p+1