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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CC2=NC3=C(C(=C(S3)C)C4=CC=CC=C4)C(=O)N2

Isomeric SMILES

CC1CC[NH+](CC1)CC2=NC3=C(C(=C(S3)C)C4=CC=CC=C4)C(=O)N2

InChI

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