2-(4-oxidanylidene-6-phenyl-thieno[2,3-d]pyrimidin-3-yl)-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]ethanamide

Systemtic Name: 2-(4-oxidanylidene-6-phenyl-thieno[2,3-d]pyrimidin-3-yl)-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]ethanamide Openeye Name: N-(1-benzylpiperidin-1-ium-4-yl)-2-(4-oxo-6-phenyl-thieno[2,3-d]pyrimidin-3-yl)acetamide CAS Name: 2-(4-oxo-6-phenyl-3-thieno[2,3-d]pyrimidinyl)-N-[1-(phenylmethyl)-4-piperidin-1-iumyl]acetamide IUPAC Name: N-(1-benzylpiperidin-1-ium-4-yl)-2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide Traditional Name: N-(1-benzylpiperidin-1-ium-4-yl)-2-(4-keto-6-phenyl-thieno[2,3-d]pyrimidin-3-yl)acetamide Formula: C26H27N4O2S+ MolecularWeight: 459.58318

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1NC(=O)CN2C=NC3=C(C2=O)C=C(S3)C4=CC=CC=C4)CC5=CC=CC=C5

Isomeric SMILES

C1C[NH+](CCC1NC(=O)CN2C=NC3=C(C2=O)C=C(S3)C4=CC=CC=C4)CC5=CC=CC=C5

InChI

InChI=1S/C26H26N4O2S/c31-24(28-21-11-13-29(14-12-21)16-19-7-3-1-4-8-19)17-30-18-27-25-22(26(30)32)15-23(33-25)20-9-5-2-6-10-20/h1-10,15,18,21H,11-14,16-17H2,(H,28,31)/p+1