5-[(2R)-1-[(5-pyrimidin-2-ylsulfanylfuran-2-yl)methyl]pyrrolidin-1-ium-2-yl]thiophene-2-carboxamide

Systemtic Name: 5-[(2R)-1-[(5-pyrimidin-2-ylsulfanylfuran-2-yl)methyl]pyrrolidin-1-ium-2-yl]thiophene-2-carboxamide Openeye Name: 5-[(2R)-1-[(5-pyrimidin-2-ylsulfanyl-2-furyl)methyl]pyrrolidin-1-ium-2-yl]thiophene-2-carboxamide CAS Name: 5-[(2R)-1-[[5-(2-pyrimidinylthio)-2-furanyl]methyl]-2-pyrrolidin-1-iumyl]-2-thiophenecarboxamide IUPAC Name: 5-[(2R)-1-[(5-pyrimidin-2-ylsulfanylfuran-2-yl)methyl]pyrrolidin-1-ium-2-yl]thiophene-2-carboxamide Traditional Name: 5-[(2R)-1-[[5-(2-pyrimidylthio)-2-furyl]methyl]pyrrolidin-1-ium-2-yl]thiophene-2-carboxamide Formula: C18H19N4O2S2+ MolecularWeight: 387.49906

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Descriptors Computed from Structure

Canonical SMILES:

C1CC([NH+](C1)CC2=CC=C(O2)SC3=NC=CC=N3)C4=CC=C(S4)C(=O)N

Isomeric SMILES

C1C[C@@H]([NH+](C1)CC2=CC=C(O2)SC3=NC=CC=N3)C4=CC=C(S4)C(=O)N

InChI

InChI=1S/C18H18N4O2S2/c19-17(23)15-6-5-14(25-15)13-3-1-10-22(13)11-12-4-7-16(24-12)26-18-20-8-2-9-21-18/h2,4-9,13H,1,3,10-11H2,(H2,19,23)/p+1/t13-/m1/s1