2-azanyl-4-(1,3-benzodioxol-5-yl)-6-(4-fluorophenyl)pyridin-1-ium-3-carbonitrile

Systemtic Name: 2-azanyl-4-(1,3-benzodioxol-5-yl)-6-(4-fluorophenyl)pyridin-1-ium-3-carbonitrile Openeye Name: 2-amino-4-(1,3-benzodioxol-5-yl)-6-(4-fluorophenyl)pyridin-1-ium-3-carbonitrile CAS Name: 2-amino-4-(1,3-benzodioxol-5-yl)-6-(4-fluorophenyl)-3-pyridin-1-iumcarbonitrile IUPAC Name: 2-amino-4-(1,3-benzodioxol-5-yl)-6-(4-fluorophenyl)pyridin-1-ium-3-carbonitrile Traditional Name: 2-amino-4-(1,3-benzodioxol-5-yl)-6-(4-fluorophenyl)pyridin-1-ium-3-carbonitrile Formula: C19H13FN3O2+ MolecularWeight: 334.323823

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3=CC(=[NH+]C(=C3C#N)N)C4=CC=C(C=C4)F

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=CC(=[NH+]C(=C3C#N)N)C4=CC=C(C=C4)F

InChI

InChI=1S/C19H12FN3O2/c20-13-4-1-11(2-5-13)16-8-14(15(9-21)19(22)23-16)12-3-6-17-18(7-12)25-10-24-17/h1-8H,10H2,(H2,22,23)/p+1