1-[(3-fluoranyl-4-methoxy-phenyl)methyl]pyridin-1-ium-3-carboxamide

Systemtic Name: 1-[(3-fluoranyl-4-methoxy-phenyl)methyl]pyridin-1-ium-3-carboxamide Openeye Name: 1-[(3-fluoro-4-methoxy-phenyl)methyl]pyridin-1-ium-3-carboxamide CAS Name: 1-[(3-fluoro-4-methoxyphenyl)methyl]-3-pyridin-1-iumcarboxamide IUPAC Name: 1-[(3-fluoro-4-methoxyphenyl)methyl]pyridin-1-ium-3-carboxamide Traditional Name: 1-(3-fluoro-4-methoxy-benzyl)pyridin-1-ium-3-carboxamide Formula: C14H14FN2O2+ MolecularWeight: 261.271563

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C[N+]2=CC=CC(=C2)C(=O)N)F

Isomeric SMILES

COC1=C(C=C(C=C1)C[N+]2=CC=CC(=C2)C(=O)N)F

InChI

InChI=1S/C14H13FN2O2/c1-19-13-5-4-10(7-12(13)15)8-17-6-2-3-11(9-17)14(16)18/h2-7,9H,8H2,1H3,(H-,16,18)/p+1