N-phenyl-2-[4-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]piperidin-1-ium-1-yl]ethanamide

Systemtic Name: N-phenyl-2-[4-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]piperidin-1-ium-1-yl]ethanamide Openeye Name: N-phenyl-2-[4-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]piperidin-1-ium-1-yl]acetamide CAS Name: N-phenyl-2-[4-[(6-phenyl-4-thieno[2,3-d]pyrimidinyl)amino]-1-piperidin-1-iumyl]acetamide IUPAC Name: N-phenyl-2-[4-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]piperidin-1-ium-1-yl]acetamide Traditional Name: N-phenyl-2-[4-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]piperidin-1-ium-1-yl]acetamide Formula: C25H26N5OS+ MolecularWeight: 444.57184

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1NC2=C3C=C(SC3=NC=N2)C4=CC=CC=C4)CC(=O)NC5=CC=CC=C5

Isomeric SMILES

C1C[NH+](CCC1NC2=C3C=C(SC3=NC=N2)C4=CC=CC=C4)CC(=O)NC5=CC=CC=C5

InChI

InChI=1S/C25H25N5OS/c31-23(28-19-9-5-2-6-10-19)16-30-13-11-20(12-14-30)29-24-21-15-22(18-7-3-1-4-8-18)32-25(21)27-17-26-24/h1-10,15,17,20H,11-14,16H2,(H,28,31)(H,26,27,29)/p+1