5-[(2R)-1-[(3-pyrimidin-2-yloxyphenyl)methyl]pyrrolidin-1-ium-2-yl]thiophene-2-carboxamide

Systemtic Name: 5-[(2R)-1-[(3-pyrimidin-2-yloxyphenyl)methyl]pyrrolidin-1-ium-2-yl]thiophene-2-carboxamide Openeye Name: 5-[(2R)-1-[(3-pyrimidin-2-yloxyphenyl)methyl]pyrrolidin-1-ium-2-yl]thiophene-2-carboxamide CAS Name: 5-[(2R)-1-[[3-(2-pyrimidinyloxy)phenyl]methyl]-2-pyrrolidin-1-iumyl]-2-thiophenecarboxamide IUPAC Name: 5-[(2R)-1-[(3-pyrimidin-2-yloxyphenyl)methyl]pyrrolidin-1-ium-2-yl]thiophene-2-carboxamide Traditional Name: 5-[(2R)-1-[3-(2-pyrimidyloxy)benzyl]pyrrolidin-1-ium-2-yl]thiophene-2-carboxamide Formula: C20H21N4O2S+ MolecularWeight: 381.47134

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Descriptors Computed from Structure

Canonical SMILES:

C1CC([NH+](C1)CC2=CC(=CC=C2)OC3=NC=CC=N3)C4=CC=C(S4)C(=O)N

Isomeric SMILES

C1C[C@@H]([NH+](C1)CC2=CC(=CC=C2)OC3=NC=CC=N3)C4=CC=C(S4)C(=O)N

InChI

InChI=1S/C20H20N4O2S/c21-19(25)18-8-7-17(27-18)16-6-2-11-24(16)13-14-4-1-5-15(12-14)26-20-22-9-3-10-23-20/h1,3-5,7-10,12,16H,2,6,11,13H2,(H2,21,25)/p+1/t16-/m1/s1