3-[(3-fluorophenyl)amino]-1-(furan-2-ylmethyl)-4-pyridin-1-ium-1-yl-pyrrole-2,5-dione

Systemtic Name: 3-[(3-fluorophenyl)amino]-1-(furan-2-ylmethyl)-4-pyridin-1-ium-1-yl-pyrrole-2,5-dione Openeye Name: 3-(3-fluoroanilino)-1-(2-furylmethyl)-4-pyridin-1-ium-1-yl-pyrrole-2,5-dione CAS Name: 3-(3-fluoroanilino)-1-(2-furanylmethyl)-4-(1-pyridin-1-iumyl)pyrrole-2,5-dione IUPAC Name: 3-(3-fluoroanilino)-1-(furan-2-ylmethyl)-4-pyridin-1-ium-1-ylpyrrole-2,5-dione Traditional Name: 3-(3-fluoroanilino)-1-(2-furfuryl)-4-pyridin-1-ium-1-yl-3-pyrroline-2,5-quinone Formula: C20H15FN3O3+ MolecularWeight: 364.349803

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+](C=C1)C2=C(C(=O)N(C2=O)CC3=CC=CO3)NC4=CC(=CC=C4)F

Isomeric SMILES

C1=CC=[N+](C=C1)C2=C(C(=O)N(C2=O)CC3=CC=CO3)NC4=CC(=CC=C4)F

InChI

InChI=1S/C20H14FN3O3/c21-14-6-4-7-15(12-14)22-17-18(23-9-2-1-3-10-23)20(26)24(19(17)25)13-16-8-5-11-27-16/h1-12H,13H2/p+1