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

Systemtic Name: N-(4-azanyl-5-chloranyl-2-oxidanyl-phenyl)-1-methyl-pyridin-1-ium-2-carboxamide Openeye Name: N-(4-amino-5-chloro-2-hydroxy-phenyl)-1-methyl-pyridin-1-ium-2-carboxamide CAS Name: N-(4-amino-5-chloro-2-hydroxyphenyl)-1-methyl-2-pyridin-1-iumcarboxamide IUPAC Name: N-(4-amino-5-chloro-2-hydroxyphenyl)-1-methylpyridin-1-ium-2-carboxamide Traditional Name: N-(4-amino-5-chloro-2-hydroxy-phenyl)-1-methyl-pyridin-1-ium-2-carboxamide Formula: C13H13ClN3O2+ MolecularWeight: 278.71422

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CC=C1C(=O)NC2=C(C=C(C(=C2)Cl)N)O

Isomeric SMILES

C[N+]1=CC=CC=C1C(=O)NC2=C(C=C(C(=C2)Cl)N)O

InChI

InChI=1S/C13H12ClN3O2/c1-17-5-3-2-4-11(17)13(19)16-10-6-8(14)9(15)7-12(10)18/h2-7H,1H3,(H3,15,18,19)/p+1