1-[[5-(4-chlorophenyl)-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl]methyl]-N-phenyl-piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[[5-(4-chlorophenyl)-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl]methyl]-N-phenyl-piperidin-1-ium-4-carboxamide Openeye Name: 1-[[5-(4-chlorophenyl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methyl]-N-phenyl-piperidin-1-ium-4-carboxamide CAS Name: 1-[[5-(4-chlorophenyl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methyl]-N-phenyl-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[[5-(4-chlorophenyl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methyl]-N-phenylpiperidin-1-ium-4-carboxamide Traditional Name: 1-[[5-(4-chlorophenyl)-4-keto-3H-thieno[2,3-d]pyrimidin-2-yl]methyl]-N-phenyl-piperidin-1-ium-4-carboxamide Formula: C25H24ClN4O2S+ MolecularWeight: 480.00166

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)NC2=CC=CC=C2)CC3=NC4=C(C(=CS4)C5=CC=C(C=C5)Cl)C(=O)N3

Isomeric SMILES

C1C[NH+](CCC1C(=O)NC2=CC=CC=C2)CC3=NC4=C(C(=CS4)C5=CC=C(C=C5)Cl)C(=O)N3

InChI

InChI=1S/C25H23ClN4O2S/c26-18-8-6-16(7-9-18)20-15-33-25-22(20)24(32)28-21(29-25)14-30-12-10-17(11-13-30)23(31)27-19-4-2-1-3-5-19/h1-9,15,17H,10-14H2,(H,27,31)(H,28,29,32)/p+1