N-[1-(phenylmethyl)piperidin-1-ium-4-yl]thieno[2,3-d]pyrimidin-4-amine

Systemtic Name: N-[1-(phenylmethyl)piperidin-1-ium-4-yl]thieno[2,3-d]pyrimidin-4-amine Openeye Name: N-(1-benzylpiperidin-1-ium-4-yl)thieno[2,3-d]pyrimidin-4-amine CAS Name: N-[1-(phenylmethyl)-4-piperidin-1-iumyl]-4-thieno[2,3-d]pyrimidinamine IUPAC Name: N-(1-benzylpiperidin-1-ium-4-yl)thieno[2,3-d]pyrimidin-4-amine Traditional Name: (1-benzylpiperidin-1-ium-4-yl)-thieno[2,3-d]pyrimidin-4-yl-amine Formula: C18H21N4S+ MolecularWeight: 325.45114

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1NC2=C3C=CSC3=NC=N2)CC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CCC1NC2=C3C=CSC3=NC=N2)CC4=CC=CC=C4

InChI

InChI=1S/C18H20N4S/c1-2-4-14(5-3-1)12-22-9-6-15(7-10-22)21-17-16-8-11-23-18(16)20-13-19-17/h1-5,8,11,13,15H,6-7,9-10,12H2,(H,19,20,21)/p+1