5-phenyl-2-[[(2R)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 5-phenyl-2-[[(2R)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 5-phenyl-2-[[(2R)-2-(2-thienyl)pyrrolidin-1-ium-1-yl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 5-phenyl-2-[[(2R)-2-thiophen-2-yl-1-pyrrolidin-1-iumyl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 5-phenyl-2-[[(2R)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 5-phenyl-2-[[(2R)-2-(2-thienyl)pyrrolidin-1-ium-1-yl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one Formula: C21H20N3OS2+ MolecularWeight: 394.533

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Descriptors Computed from Structure

Canonical SMILES:

C1CC([NH+](C1)CC2=NC3=C(C(=CS3)C4=CC=CC=C4)C(=O)N2)C5=CC=CS5

Isomeric SMILES

C1C[C@@H]([NH+](C1)CC2=NC3=C(C(=CS3)C4=CC=CC=C4)C(=O)N2)C5=CC=CS5

InChI

InChI=1S/C21H19N3OS2/c25-20-19-15(14-6-2-1-3-7-14)13-27-21(19)23-18(22-20)12-24-10-4-8-16(24)17-9-5-11-26-17/h1-3,5-7,9,11,13,16H,4,8,10,12H2,(H,22,23,25)/p+1/t16-/m1/s1