2-azanyl-6-(4-fluorophenyl)-4-(3-phenylmethoxyphenyl)pyridin-1-ium-3-carbonitrile

Systemtic Name: 2-azanyl-6-(4-fluorophenyl)-4-(3-phenylmethoxyphenyl)pyridin-1-ium-3-carbonitrile Openeye Name: 2-amino-4-(3-benzyloxyphenyl)-6-(4-fluorophenyl)pyridin-1-ium-3-carbonitrile CAS Name: 2-amino-6-(4-fluorophenyl)-4-(3-phenylmethoxyphenyl)-3-pyridin-1-iumcarbonitrile IUPAC Name: 2-amino-6-(4-fluorophenyl)-4-(3-phenylmethoxyphenyl)pyridin-1-ium-3-carbonitrile Traditional Name: 2-amino-4-(3-benzoxyphenyl)-6-(4-fluorophenyl)pyridin-1-ium-3-carbonitrile Formula: C25H19FN3O+ MolecularWeight: 396.436263

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC=CC(=C2)C3=CC(=[NH+]C(=C3C#N)N)C4=CC=C(C=C4)F

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC=CC(=C2)C3=CC(=[NH+]C(=C3C#N)N)C4=CC=C(C=C4)F

InChI

InChI=1S/C25H18FN3O/c26-20-11-9-18(10-12-20)24-14-22(23(15-27)25(28)29-24)19-7-4-8-21(13-19)30-16-17-5-2-1-3-6-17/h1-14H,16H2,(H2,28,29)/p+1