2-[[(2R)-2-phenylpyrrolidin-1-ium-1-yl]methyl]-1H-thieno[3,2-d]pyrimidin-4-one

Systemtic Name: 2-[[(2R)-2-phenylpyrrolidin-1-ium-1-yl]methyl]-1H-thieno[3,2-d]pyrimidin-4-one Openeye Name: 2-[[(2R)-2-phenylpyrrolidin-1-ium-1-yl]methyl]-1H-thieno[3,2-d]pyrimidin-4-one CAS Name: 2-[[(2R)-2-phenyl-1-pyrrolidin-1-iumyl]methyl]-1H-thieno[3,2-d]pyrimidin-4-one IUPAC Name: 2-[[(2R)-2-phenylpyrrolidin-1-ium-1-yl]methyl]-1H-thieno[3,2-d]pyrimidin-4-one Traditional Name: 2-[[(2R)-2-phenylpyrrolidin-1-ium-1-yl]methyl]-1H-thieno[3,2-d]pyrimidin-4-one Formula: C17H18N3OS+ MolecularWeight: 312.40932

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Descriptors Computed from Structure

Canonical SMILES:

C1CC([NH+](C1)CC2=NC(=O)C3=C(N2)C=CS3)C4=CC=CC=C4

Isomeric SMILES

C1C[C@@H]([NH+](C1)CC2=NC(=O)C3=C(N2)C=CS3)C4=CC=CC=C4

InChI

InChI=1S/C17H17N3OS/c21-17-16-13(8-10-22-16)18-15(19-17)11-20-9-4-7-14(20)12-5-2-1-3-6-12/h1-3,5-6,8,10,14H,4,7,9,11H2,(H,18,19,21)/p+1/t14-/m1/s1