2-[[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 2-[[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[[(3R,5R)-3,5-dimethyl-1-piperidin-1-iumyl]methyl]-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 2-[[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Formula: C20H24N3OS+ MolecularWeight: 354.48906

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C[NH+](C1)CC2=NC3=C(C=C(S3)C4=CC=CC=C4)C(=O)N2)C

Isomeric SMILES

C[C@@H]1C[C@H](C[NH+](C1)CC2=NC3=C(C=C(S3)C4=CC=CC=C4)C(=O)N2)C

InChI

InChI=1S/C20H23N3OS/c1-13-8-14(2)11-23(10-13)12-18-21-19(24)16-9-17(25-20(16)22-18)15-6-4-3-5-7-15/h3-7,9,13-14H,8,10-12H2,1-2H3,(H,21,22,24)/p+1/t13-,14-/m1/s1