2-azanyl-N-[[2-[3,4-bis(fluoranyl)phenoxy]pyridin-3-yl]methyl]pyridin-1-ium-4-carboxamide

Systemtic Name: 2-azanyl-N-[[2-[3,4-bis(fluoranyl)phenoxy]pyridin-3-yl]methyl]pyridin-1-ium-4-carboxamide Openeye Name: 2-amino-N-[[2-(3,4-difluorophenoxy)-3-pyridyl]methyl]pyridin-1-ium-4-carboxamide CAS Name: 2-amino-N-[[2-(3,4-difluorophenoxy)-3-pyridinyl]methyl]-4-pyridin-1-iumcarboxamide IUPAC Name: 2-amino-N-[[2-(3,4-difluorophenoxy)pyridin-3-yl]methyl]pyridin-1-ium-4-carboxamide Traditional Name: 2-amino-N-[[2-(3,4-difluorophenoxy)-3-pyridyl]methyl]pyridin-1-ium-4-carboxamide Formula: C18H15F2N4O2+ MolecularWeight: 357.334106

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(N=C1)OC2=CC(=C(C=C2)F)F)CNC(=O)C3=CC(=[NH+]C=C3)N

Isomeric SMILES

C1=CC(=C(N=C1)OC2=CC(=C(C=C2)F)F)CNC(=O)C3=CC(=[NH+]C=C3)N

InChI

InChI=1S/C18H14F2N4O2/c19-14-4-3-13(9-15(14)20)26-18-12(2-1-6-23-18)10-24-17(25)11-5-7-22-16(21)8-11/h1-9H,10H2,(H2,21,22)(H,24,25)/p+1