3-[2-(1-methyl-4-oxidanyl-piperidin-1-ium-4-yl)ethyl]thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 3-[2-(1-methyl-4-oxidanyl-piperidin-1-ium-4-yl)ethyl]thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-[2-(4-hydroxy-1-methyl-piperidin-1-ium-4-yl)ethyl]thieno[2,3-d]pyrimidin-4-one CAS Name: 3-[2-(4-hydroxy-1-methyl-4-piperidin-1-iumyl)ethyl]-4-thieno[2,3-d]pyrimidinone IUPAC Name: 3-[2-(4-hydroxy-1-methylpiperidin-1-ium-4-yl)ethyl]thieno[2,3-d]pyrimidin-4-one Traditional Name: 3-[2-(4-hydroxy-1-methyl-piperidin-1-ium-4-yl)ethyl]thieno[2,3-d]pyrimidin-4-one Formula: C14H20N3O2S+ MolecularWeight: 294.3925

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)(CCN2C=NC3=C(C2=O)C=CS3)O

Isomeric SMILES

C[NH+]1CCC(CC1)(CCN2C=NC3=C(C2=O)C=CS3)O

InChI

InChI=1S/C14H19N3O2S/c1-16-6-3-14(19,4-7-16)5-8-17-10-15-12-11(13(17)18)2-9-20-12/h2,9-10,19H,3-8H2,1H3/p+1