1,3-dimethyl-6-[[(2S)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]methyl]pyrimidine-2,4-dione

Systemtic Name: 1,3-dimethyl-6-[[(2S)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]methyl]pyrimidine-2,4-dione Openeye Name: 1,3-dimethyl-6-[[(2S)-2-(2-thienyl)pyrrolidin-1-ium-1-yl]methyl]pyrimidine-2,4-dione CAS Name: 1,3-dimethyl-6-[[(2S)-2-thiophen-2-yl-1-pyrrolidin-1-iumyl]methyl]pyrimidine-2,4-dione IUPAC Name: 1,3-dimethyl-6-[[(2S)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]methyl]pyrimidine-2,4-dione Traditional Name: 1,3-dimethyl-6-[[(2S)-2-(2-thienyl)pyrrolidin-1-ium-1-yl]methyl]pyrimidine-2,4-quinone Formula: C15H20N3O2S+ MolecularWeight: 306.4032

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC(=O)N(C1=O)C)C[NH+]2CCCC2C3=CC=CS3

Isomeric SMILES

CN1C(=CC(=O)N(C1=O)C)C[NH+]2CCC[C@H]2C3=CC=CS3

InChI

InChI=1S/C15H19N3O2S/c1-16-11(9-14(19)17(2)15(16)20)10-18-7-3-5-12(18)13-6-4-8-21-13/h4,6,8-9,12H,3,5,7,10H2,1-2H3/p+1/t12-/m0/s1