N-[3-(4-fluorophenyl)sulfanylpropyl]-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxamide

Systemtic Name: N-[3-(4-fluorophenyl)sulfanylpropyl]-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxamide Openeye Name: N-[3-(4-fluorophenyl)sulfanylpropyl]-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxamide CAS Name: N-[3-[(4-fluorophenyl)thio]propyl]-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxamide IUPAC Name: N-[3-(4-fluorophenyl)sulfanylpropyl]-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxamide Traditional Name: N-[3-[(4-fluorophenyl)thio]propyl]-4-keto-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxamide Formula: C18H17FN3O2S+ MolecularWeight: 358.409883

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+]2C(=C1)NC=C(C2=O)C(=O)NCCCSC3=CC=C(C=C3)F

Isomeric SMILES

C1=CC=[N+]2C(=C1)NC=C(C2=O)C(=O)NCCCSC3=CC=C(C=C3)F

InChI

InChI=1S/C18H16FN3O2S/c19-13-5-7-14(8-6-13)25-11-3-9-20-17(23)15-12-21-16-4-1-2-10-22(16)18(15)24/h1-2,4-8,10,12H,3,9,11H2,(H,20,23)/p+1