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

Systemtic Name: 1-[(4-oxidanylidene-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[(4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[(4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[(4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-[(4-keto-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]piperidin-1-ium-4-carboxamide Formula: C19H21N4O2S+ MolecularWeight: 369.46064

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)N)CC2=NC3=C(C(=CS3)C4=CC=CC=C4)C(=O)N2

Isomeric SMILES

C1C[NH+](CCC1C(=O)N)CC2=NC3=C(C(=CS3)C4=CC=CC=C4)C(=O)N2

InChI

InChI=1S/C19H20N4O2S/c20-17(24)13-6-8-23(9-7-13)10-15-21-18(25)16-14(11-26-19(16)22-15)12-4-2-1-3-5-12/h1-5,11,13H,6-10H2,(H2,20,24)(H,21,22,25)/p+1