6-phenyl-N-piperidin-1-ium-4-yl-thieno[2,3-d]pyrimidin-4-amine

Systemtic Name: 6-phenyl-N-piperidin-1-ium-4-yl-thieno[2,3-d]pyrimidin-4-amine Openeye Name: 6-phenyl-N-piperidin-1-ium-4-yl-thieno[2,3-d]pyrimidin-4-amine CAS Name: 6-phenyl-N-(4-piperidin-1-iumyl)-4-thieno[2,3-d]pyrimidinamine IUPAC Name: 6-phenyl-N-piperidin-1-ium-4-ylthieno[2,3-d]pyrimidin-4-amine Traditional Name: (6-phenylthieno[2,3-d]pyrimidin-4-yl)-piperidin-1-ium-4-yl-amine Formula: C17H19N4S+ MolecularWeight: 311.42456

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH2+]CCC1NC2=C3C=C(SC3=NC=N2)C4=CC=CC=C4

Isomeric SMILES

C1C[NH2+]CCC1NC2=C3C=C(SC3=NC=N2)C4=CC=CC=C4

InChI

InChI=1S/C17H18N4S/c1-2-4-12(5-3-1)15-10-14-16(19-11-20-17(14)22-15)21-13-6-8-18-9-7-13/h1-5,10-11,13,18H,6-9H2,(H,19,20,21)/p+1