2-(azocan-1-ium-1-ylmethyl)-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 2-(azocan-1-ium-1-ylmethyl)-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-(azocan-1-ium-1-ylmethyl)-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-(1-azocan-1-iumylmethyl)-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 2-(azocan-1-ium-1-ylmethyl)-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-(azocan-1-ium-1-ylmethyl)-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Formula: C20H24N3OS+ MolecularWeight: 354.48906

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CCC1)CC2=NC3=C(C(=CS3)C4=CC=CC=C4)C(=O)N2

Isomeric SMILES

C1CCC[NH+](CCC1)CC2=NC3=C(C(=CS3)C4=CC=CC=C4)C(=O)N2

InChI

InChI=1S/C20H23N3OS/c24-19-18-16(15-9-5-4-6-10-15)14-25-20(18)22-17(21-19)13-23-11-7-2-1-3-8-12-23/h4-6,9-10,14H,1-3,7-8,11-13H2,(H,21,22,24)/p+1