2-piperidin-1-ium-4-yl-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one

Systemtic Name: 2-piperidin-1-ium-4-yl-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one Openeye Name: 2-piperidin-1-ium-4-yl-5,6,7,8-tetrahydro-3H-benzothiopheno[2,3-d]pyrimidin-4-one CAS Name: 2-(4-piperidin-1-iumyl)-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one IUPAC Name: 2-piperidin-1-ium-4-yl-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one Traditional Name: 2-piperidin-1-ium-4-yl-5,6,7,8-tetrahydro-3H-benzothiopheno[2,3-d]pyrimidin-4-one Formula: C15H20N3OS+ MolecularWeight: 290.4038

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C3=C(S2)N=C(NC3=O)C4CC[NH2+]CC4

Isomeric SMILES

C1CCC2=C(C1)C3=C(S2)N=C(NC3=O)C4CC[NH2+]CC4

InChI

InChI=1S/C15H19N3OS/c19-14-12-10-3-1-2-4-11(10)20-15(12)18-13(17-14)9-5-7-16-8-6-9/h9,16H,1-8H2,(H,17,18,19)/p+1