5-(4-methylphenyl)-2-[[(2S)-2-methylpiperidin-1-ium-1-yl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 5-(4-methylphenyl)-2-[[(2S)-2-methylpiperidin-1-ium-1-yl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[[(2S)-2-methylpiperidin-1-ium-1-yl]methyl]-5-(p-tolyl)-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 5-(4-methylphenyl)-2-[[(2S)-2-methyl-1-piperidin-1-iumyl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 5-(4-methylphenyl)-2-[[(2S)-2-methylpiperidin-1-ium-1-yl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[[(2S)-2-methylpiperidin-1-ium-1-yl]methyl]-5-(p-tolyl)-3H-thieno[2,3-d]pyrimidin-4-one Formula: C20H24N3OS+ MolecularWeight: 354.48906

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1CC2=NC3=C(C(=CS3)C4=CC=C(C=C4)C)C(=O)N2

Isomeric SMILES

C[C@H]1CCCC[NH+]1CC2=NC3=C(C(=CS3)C4=CC=C(C=C4)C)C(=O)N2

InChI

InChI=1S/C20H23N3OS/c1-13-6-8-15(9-7-13)16-12-25-20-18(16)19(24)21-17(22-20)11-23-10-4-3-5-14(23)2/h6-9,12,14H,3-5,10-11H2,1-2H3,(H,21,22,24)/p+1/t14-/m0/s1