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

Systemtic Name: 5-phenyl-2-[[4-(phenylmethyl)piperidin-1-ium-1-yl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[(4-benzylpiperidin-1-ium-1-yl)methyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 5-phenyl-2-[[4-(phenylmethyl)-1-piperidin-1-iumyl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 2-[(4-benzylpiperidin-1-ium-1-yl)methyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[(4-benzylpiperidin-1-ium-1-yl)methyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Formula: C25H26N3OS+ MolecularWeight: 416.55844

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1CC2=CC=CC=C2)CC3=NC4=C(C(=CS4)C5=CC=CC=C5)C(=O)N3

Isomeric SMILES

C1C[NH+](CCC1CC2=CC=CC=C2)CC3=NC4=C(C(=CS4)C5=CC=CC=C5)C(=O)N3

InChI

InChI=1S/C25H25N3OS/c29-24-23-21(20-9-5-2-6-10-20)17-30-25(23)27-22(26-24)16-28-13-11-19(12-14-28)15-18-7-3-1-4-8-18/h1-10,17,19H,11-16H2,(H,26,27,29)/p+1