1-[(4-oxidanylidene-6-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]-N-phenyl-piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[(4-oxidanylidene-6-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]-N-phenyl-piperidin-1-ium-4-carboxamide Openeye Name: 1-[(4-oxo-6-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]-N-phenyl-piperidin-1-ium-4-carboxamide CAS Name: 1-[(4-oxo-6-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]-N-phenyl-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[(4-oxo-6-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]-N-phenylpiperidin-1-ium-4-carboxamide Traditional Name: 1-[(4-keto-6-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]-N-phenyl-piperidin-1-ium-4-carboxamide Formula: C25H25N4O2S+ MolecularWeight: 445.5566

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)NC2=CC=CC=C2)CC3=NC4=C(C=C(S4)C5=CC=CC=C5)C(=O)N3

Isomeric SMILES

C1C[NH+](CCC1C(=O)NC2=CC=CC=C2)CC3=NC4=C(C=C(S4)C5=CC=CC=C5)C(=O)N3

InChI

InChI=1S/C25H24N4O2S/c30-23(26-19-9-5-2-6-10-19)18-11-13-29(14-12-18)16-22-27-24(31)20-15-21(32-25(20)28-22)17-7-3-1-4-8-17/h1-10,15,18H,11-14,16H2,(H,26,30)(H,27,28,31)/p+1