[(3S)-1-(1-thieno[2,3-d]pyrimidin-4-ylpiperidin-4-yl)piperidin-1-ium-3-yl]methanol

Systemtic Name: [(3S)-1-(1-thieno[2,3-d]pyrimidin-4-ylpiperidin-4-yl)piperidin-1-ium-3-yl]methanol Openeye Name: [(3S)-1-(1-thieno[2,3-d]pyrimidin-4-yl-4-piperidyl)piperidin-1-ium-3-yl]methanol CAS Name: [(3S)-1-[1-(4-thieno[2,3-d]pyrimidinyl)-4-piperidinyl]-3-piperidin-1-iumyl]methanol IUPAC Name: [(3S)-1-(1-thieno[2,3-d]pyrimidin-4-ylpiperidin-4-yl)piperidin-1-ium-3-yl]methanol Traditional Name: [(3S)-1-(1-thieno[2,3-d]pyrimidin-4-yl-4-piperidyl)piperidin-1-ium-3-yl]methanol Formula: C17H25N4OS+ MolecularWeight: 333.4716

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)C2CCN(CC2)C3=C4C=CSC4=NC=N3)CO

Isomeric SMILES

C1C[C@@H](C[NH+](C1)C2CCN(CC2)C3=C4C=CSC4=NC=N3)CO

InChI

InChI=1S/C17H24N4OS/c22-11-13-2-1-6-21(10-13)14-3-7-20(8-4-14)16-15-5-9-23-17(15)19-12-18-16/h5,9,12-14,22H,1-4,6-8,10-11H2/p+1/t13-/m0/s1