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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=NC(=O)C3=C(N2)C=CS3)C(=O)NC4=CC=CC=C4

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=NC(=O)C3=C(N2)C=CS3)C(=O)NC4=CC=CC=C4

InChI

InChI=1S/C19H20N4O2S/c24-18(20-14-6-2-1-3-7-14)13-5-4-9-23(11-13)12-16-21-15-8-10-26-17(15)19(25)22-16/h1-3,6-8,10,13H,4-5,9,11-12H2,(H,20,24)(H,21,22,25)/p+1/t13-/m0/s1