2-[4-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperazine-1,4-diium-1-yl]ethanol

Systemtic Name: 2-[4-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperazine-1,4-diium-1-yl]ethanol Openeye Name: 2-[4-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperazine-1,4-diium-1-yl]ethanol CAS Name: 2-[4-(5-phenyl-4-thieno[2,3-d]pyrimidinyl)-1-piperazine-1,4-diiumyl]ethanol IUPAC Name: 2-[4-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperazine-1,4-diium-1-yl]ethanol Traditional Name: 2-[4-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperazine-1,4-diium-1-yl]ethanol Formula: C18H22N4OS+2 MolecularWeight: 342.45848

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH+]1CCO)C2=C3C(=CSC3=NC=N2)C4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CC[NH+]1CCO)C2=C3C(=CSC3=NC=N2)C4=CC=CC=C4

InChI

InChI=1S/C18H20N4OS/c23-11-10-21-6-8-22(9-7-21)17-16-15(14-4-2-1-3-5-14)12-24-18(16)20-13-19-17/h1-5,12-13,23H,6-11H2/p+2