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

Systemtic Name: N-(2-hydroxyphenyl)-1-[(4-oxidanylidene-1H-thieno[3,2-d]pyrimidin-2-yl)methyl]piperidin-1-ium-4-carboxamide Openeye Name: N-(2-hydroxyphenyl)-1-[(4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methyl]piperidin-1-ium-4-carboxamide CAS Name: N-(2-hydroxyphenyl)-1-[(4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methyl]-4-piperidin-1-iumcarboxamide IUPAC Name: N-(2-hydroxyphenyl)-1-[(4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methyl]piperidin-1-ium-4-carboxamide Traditional Name: N-(2-hydroxyphenyl)-1-[(4-keto-1H-thieno[3,2-d]pyrimidin-2-yl)methyl]piperidin-1-ium-4-carboxamide Formula: C19H21N4O3S+ MolecularWeight: 385.46004

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)NC2=CC=CC=C2O)CC3=NC(=O)C4=C(N3)C=CS4

Isomeric SMILES

C1C[NH+](CCC1C(=O)NC2=CC=CC=C2O)CC3=NC(=O)C4=C(N3)C=CS4

InChI

InChI=1S/C19H20N4O3S/c24-15-4-2-1-3-13(15)21-18(25)12-5-8-23(9-6-12)11-16-20-14-7-10-27-17(14)19(26)22-16/h1-4,7,10,12,24H,5-6,8-9,11H2,(H,21,25)(H,20,22,26)/p+1