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

Systemtic Name: N-(2-hydroxyphenyl)-1-[(4-oxidanylidene-6-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]piperidin-1-ium-4-carboxamide Openeye Name: N-(2-hydroxyphenyl)-1-[(4-oxo-6-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]piperidin-1-ium-4-carboxamide CAS Name: N-(2-hydroxyphenyl)-1-[(4-oxo-6-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]-4-piperidin-1-iumcarboxamide IUPAC Name: N-(2-hydroxyphenyl)-1-[(4-oxo-6-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]piperidin-1-ium-4-carboxamide Traditional Name: N-(2-hydroxyphenyl)-1-[(4-keto-6-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]piperidin-1-ium-4-carboxamide Formula: C25H25N4O3S+ MolecularWeight: 461.556

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)NC2=CC=CC=C2O)CC3=NC4=C(C=C(S4)C5=CC=CC=C5)C(=O)N3

Isomeric SMILES

C1C[NH+](CCC1C(=O)NC2=CC=CC=C2O)CC3=NC4=C(C=C(S4)C5=CC=CC=C5)C(=O)N3

InChI

InChI=1S/C25H24N4O3S/c30-20-9-5-4-8-19(20)26-23(31)17-10-12-29(13-11-17)15-22-27-24(32)18-14-21(33-25(18)28-22)16-6-2-1-3-7-16/h1-9,14,17,30H,10-13,15H2,(H,26,31)(H,27,28,32)/p+1