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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1CC2=NC3=C(C=C(S3)C4=CC=CC=C4)C(=O)N2

Isomeric SMILES

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

InChI

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