6-tert-butyl-3-[2-(4-oxidanylpiperidin-1-ium-1-yl)ethyl]thieno[3,2-d]pyrimidin-4-one

Systemtic Name: 6-tert-butyl-3-[2-(4-oxidanylpiperidin-1-ium-1-yl)ethyl]thieno[3,2-d]pyrimidin-4-one Openeye Name: 6-tert-butyl-3-[2-(4-hydroxypiperidin-1-ium-1-yl)ethyl]thieno[3,2-d]pyrimidin-4-one CAS Name: 6-tert-butyl-3-[2-(4-hydroxy-1-piperidin-1-iumyl)ethyl]-4-thieno[3,2-d]pyrimidinone IUPAC Name: 6-tert-butyl-3-[2-(4-hydroxypiperidin-1-ium-1-yl)ethyl]thieno[3,2-d]pyrimidin-4-one Traditional Name: 6-tert-butyl-3-[2-(4-hydroxypiperidin-1-ium-1-yl)ethyl]thieno[3,2-d]pyrimidin-4-one Formula: C17H26N3O2S+ MolecularWeight: 336.47224

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC2=C(S1)C(=O)N(C=N2)CC[NH+]3CCC(CC3)O

Isomeric SMILES

CC(C)(C)C1=CC2=C(S1)C(=O)N(C=N2)CC[NH+]3CCC(CC3)O

InChI

InChI=1S/C17H25N3O2S/c1-17(2,3)14-10-13-15(23-14)16(22)20(11-18-13)9-8-19-6-4-12(21)5-7-19/h10-12,21H,4-9H2,1-3H3/p+1