3,5,6-trimethyl-2-[(3S)-piperidin-1-ium-3-yl]thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 3,5,6-trimethyl-2-[(3S)-piperidin-1-ium-3-yl]thieno[2,3-d]pyrimidin-4-one Openeye Name: 3,5,6-trimethyl-2-[(3S)-piperidin-1-ium-3-yl]thieno[2,3-d]pyrimidin-4-one CAS Name: 3,5,6-trimethyl-2-[(3S)-3-piperidin-1-iumyl]-4-thieno[2,3-d]pyrimidinone IUPAC Name: 3,5,6-trimethyl-2-[(3S)-piperidin-1-ium-3-yl]thieno[2,3-d]pyrimidin-4-one Traditional Name: 3,5,6-trimethyl-2-[(3S)-piperidin-1-ium-3-yl]thieno[2,3-d]pyrimidin-4-one Formula: C14H20N3OS+ MolecularWeight: 278.3931

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C(=N2)C3CCC[NH2+]C3)C)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C(=N2)[C@H]3CCC[NH2+]C3)C)C

InChI

InChI=1S/C14H19N3OS/c1-8-9(2)19-13-11(8)14(18)17(3)12(16-13)10-5-4-6-15-7-10/h10,15H,4-7H2,1-3H3/p+1/t10-/m0/s1