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

Systemtic Name: 6-methyl-5-(4-methylphenyl)-2-[[(2S)-2-methylpiperidin-1-ium-1-yl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 6-methyl-2-[[(2S)-2-methylpiperidin-1-ium-1-yl]methyl]-5-(p-tolyl)-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 6-methyl-5-(4-methylphenyl)-2-[[(2S)-2-methyl-1-piperidin-1-iumyl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 6-methyl-5-(4-methylphenyl)-2-[[(2S)-2-methylpiperidin-1-ium-1-yl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 6-methyl-2-[[(2S)-2-methylpiperidin-1-ium-1-yl]methyl]-5-(p-tolyl)-3H-thieno[2,3-d]pyrimidin-4-one Formula: C21H26N3OS+ MolecularWeight: 368.51564

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3OS/c1-13-7-9-16(10-8-13)18-15(3)26-21-19(18)20(25)22-17(23-21)12-24-11-5-4-6-14(24)2/h7-10,14H,4-6,11-12H2,1-3H3,(H,22,23,25)/p+1/t14-/m0/s1