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

Systemtic Name: N-[1-(pyridin-3-ylmethyl)piperidin-1-ium-4-yl]thieno[2,3-d]pyrimidin-4-amine Openeye Name: N-[1-(3-pyridylmethyl)piperidin-1-ium-4-yl]thieno[2,3-d]pyrimidin-4-amine CAS Name: N-[1-(3-pyridinylmethyl)-4-piperidin-1-iumyl]-4-thieno[2,3-d]pyrimidinamine IUPAC Name: N-[1-(pyridin-3-ylmethyl)piperidin-1-ium-4-yl]thieno[2,3-d]pyrimidin-4-amine Traditional Name: [1-(3-pyridylmethyl)piperidin-1-ium-4-yl]-thieno[2,3-d]pyrimidin-4-yl-amine Formula: C17H20N5S+ MolecularWeight: 326.4392

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19N5S/c1-2-13(10-18-6-1)11-22-7-3-14(4-8-22)21-16-15-5-9-23-17(15)20-12-19-16/h1-2,5-6,9-10,12,14H,3-4,7-8,11H2,(H,19,20,21)/p+1