6-[[2-[2,3-bis(fluoranyl)-4-methyl-phenoxy]pyridin-3-yl]methylamino]pyridin-1-ium-3-carboxamide

Systemtic Name: 6-[[2-[2,3-bis(fluoranyl)-4-methyl-phenoxy]pyridin-3-yl]methylamino]pyridin-1-ium-3-carboxamide Openeye Name: 6-[[2-(2,3-difluoro-4-methyl-phenoxy)-3-pyridyl]methylamino]pyridin-1-ium-3-carboxamide CAS Name: 6-[[2-(2,3-difluoro-4-methylphenoxy)-3-pyridinyl]methylamino]-3-pyridin-1-iumcarboxamide IUPAC Name: 6-[[2-(2,3-difluoro-4-methylphenoxy)pyridin-3-yl]methylamino]pyridin-1-ium-3-carboxamide Traditional Name: 6-[[2-(2,3-difluoro-4-methyl-phenoxy)-3-pyridyl]methylamino]pyridin-1-ium-3-carboxamide Formula: C19H17F2N4O2+ MolecularWeight: 371.360686

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)OC2=C(C=CC=N2)CNC3=[NH+]C=C(C=C3)C(=O)N)F)F

Isomeric SMILES

CC1=C(C(=C(C=C1)OC2=C(C=CC=N2)CNC3=[NH+]C=C(C=C3)C(=O)N)F)F

InChI

InChI=1S/C19H16F2N4O2/c1-11-4-6-14(17(21)16(11)20)27-19-13(3-2-8-23-19)10-25-15-7-5-12(9-24-15)18(22)26/h2-9H,10H2,1H3,(H2,22,26)(H,24,25)/p+1