6-piperidin-1-ium-4-yl-2-thiophen-2-yl-1H-pyrimidin-4-one

Systemtic Name: 6-piperidin-1-ium-4-yl-2-thiophen-2-yl-1H-pyrimidin-4-one Openeye Name: 6-piperidin-1-ium-4-yl-2-(2-thienyl)-1H-pyrimidin-4-one CAS Name: 6-(4-piperidin-1-iumyl)-2-thiophen-2-yl-1H-pyrimidin-4-one IUPAC Name: 6-piperidin-1-ium-4-yl-2-thiophen-2-yl-1H-pyrimidin-4-one Traditional Name: 6-piperidin-1-ium-4-yl-2-(2-thienyl)-1H-pyrimidin-4-one Formula: C13H16N3OS+ MolecularWeight: 262.35064

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH2+]CCC1C2=CC(=O)N=C(N2)C3=CC=CS3

Isomeric SMILES

C1C[NH2+]CCC1C2=CC(=O)N=C(N2)C3=CC=CS3

InChI

InChI=1S/C13H15N3OS/c17-12-8-10(9-3-5-14-6-4-9)15-13(16-12)11-2-1-7-18-11/h1-2,7-9,14H,3-6H2,(H,15,16,17)/p+1