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

Systemtic Name: N-[1-(pyridin-4-ylmethyl)piperidin-1-ium-4-yl]thieno[2,3-d]pyrimidin-4-amine Openeye Name: N-[1-(4-pyridylmethyl)piperidin-1-ium-4-yl]thieno[2,3-d]pyrimidin-4-amine CAS Name: N-[1-(pyridin-4-ylmethyl)-4-piperidin-1-iumyl]-4-thieno[2,3-d]pyrimidinamine IUPAC Name: N-[1-(pyridin-4-ylmethyl)piperidin-1-ium-4-yl]thieno[2,3-d]pyrimidin-4-amine Traditional Name: [1-(4-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=CC=NC=C4

Isomeric SMILES

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

InChI

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