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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C([NH+]=C1)NCC2=C(N=CC=C2)OC3=C(C=C(C=C3)F)F)C(=O)N

Isomeric SMILES

C1=CC(=C([NH+]=C1)NCC2=C(N=CC=C2)OC3=C(C=C(C=C3)F)F)C(=O)N

InChI

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