2-(azocan-1-ium-1-ylmethyl)-1H-thieno[3,2-d]pyrimidin-4-one

Systemtic Name: 2-(azocan-1-ium-1-ylmethyl)-1H-thieno[3,2-d]pyrimidin-4-one Openeye Name: 2-(azocan-1-ium-1-ylmethyl)-1H-thieno[3,2-d]pyrimidin-4-one CAS Name: 2-(1-azocan-1-iumylmethyl)-1H-thieno[3,2-d]pyrimidin-4-one IUPAC Name: 2-(azocan-1-ium-1-ylmethyl)-1H-thieno[3,2-d]pyrimidin-4-one Traditional Name: 2-(azocan-1-ium-1-ylmethyl)-1H-thieno[3,2-d]pyrimidin-4-one Formula: C14H20N3OS+ MolecularWeight: 278.3931

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CCC1)CC2=NC(=O)C3=C(N2)C=CS3

Isomeric SMILES

C1CCC[NH+](CCC1)CC2=NC(=O)C3=C(N2)C=CS3

InChI

InChI=1S/C14H19N3OS/c18-14-13-11(6-9-19-13)15-12(16-14)10-17-7-4-2-1-3-5-8-17/h6,9H,1-5,7-8,10H2,(H,15,16,18)/p+1