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

Systemtic Name: 2-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[[(3S)-3-methyl-1-piperidin-1-iumyl]methyl]-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 2-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Formula: C19H22N3OS+ MolecularWeight: 340.46248

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CC2=NC3=C(C=C(S3)C4=CC=CC=C4)C(=O)N2

Isomeric SMILES

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

InChI

InChI=1S/C19H21N3OS/c1-13-6-5-9-22(11-13)12-17-20-18(23)15-10-16(24-19(15)21-17)14-7-3-2-4-8-14/h2-4,7-8,10,13H,5-6,9,11-12H2,1H3,(H,20,21,23)/p+1/t13-/m0/s1