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

Systemtic Name: 2-[[(2R)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]methyl]-1H-[1]benzofuro[3,2-d]pyrimidin-4-one Openeye Name: 2-[[(2R)-2-(2-thienyl)pyrrolidin-1-ium-1-yl]methyl]-1H-benzofuro[3,2-d]pyrimidin-4-one CAS Name: 2-[[(2R)-2-thiophen-2-yl-1-pyrrolidin-1-iumyl]methyl]-1H-benzofuro[3,2-d]pyrimidin-4-one IUPAC Name: 2-[[(2R)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]methyl]-1H-[1]benzofuro[3,2-d]pyrimidin-4-one Traditional Name: 2-[[(2R)-2-(2-thienyl)pyrrolidin-1-ium-1-yl]methyl]-1H-benzofuro[3,2-d]pyrimidin-4-one Formula: C19H18N3O2S+ MolecularWeight: 352.43012

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Descriptors Computed from Structure

Canonical SMILES:

C1CC([NH+](C1)CC2=NC(=O)C3=C(N2)C4=CC=CC=C4O3)C5=CC=CS5

Isomeric SMILES

C1C[C@@H]([NH+](C1)CC2=NC(=O)C3=C(N2)C4=CC=CC=C4O3)C5=CC=CS5

InChI

InChI=1S/C19H17N3O2S/c23-19-18-17(12-5-1-2-7-14(12)24-18)20-16(21-19)11-22-9-3-6-13(22)15-8-4-10-25-15/h1-2,4-5,7-8,10,13H,3,6,9,11H2,(H,20,21,23)/p+1/t13-/m1/s1