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

Systemtic Name: 2-[(1R)-1-(azocan-1-ium-1-yl)ethyl]-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[(1R)-1-(azocan-1-ium-1-yl)ethyl]-5-(2-thienyl)-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[(1R)-1-(1-azocan-1-iumyl)ethyl]-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 2-[(1R)-1-(azocan-1-ium-1-yl)ethyl]-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[(1R)-1-(azocan-1-ium-1-yl)ethyl]-5-(2-thienyl)-3H-thieno[2,3-d]pyrimidin-4-one Formula: C19H24N3OS2+ MolecularWeight: 374.54336

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC2=C(C(=CS2)C3=CC=CS3)C(=O)N1)[NH+]4CCCCCCC4

Isomeric SMILES

C[C@H](C1=NC2=C(C(=CS2)C3=CC=CS3)C(=O)N1)[NH+]4CCCCCCC4

InChI

InChI=1S/C19H23N3OS2/c1-13(22-9-5-3-2-4-6-10-22)17-20-18(23)16-14(12-25-19(16)21-17)15-8-7-11-24-15/h7-8,11-13H,2-6,9-10H2,1H3,(H,20,21,23)/p+1/t13-/m1/s1