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

Systemtic Name: 2-(azocan-1-ium-1-ylmethyl)-5-(2-chlorophenyl)-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-(azocan-1-ium-1-ylmethyl)-5-(2-chlorophenyl)-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-(1-azocan-1-iumylmethyl)-5-(2-chlorophenyl)-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 2-(azocan-1-ium-1-ylmethyl)-5-(2-chlorophenyl)-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-(azocan-1-ium-1-ylmethyl)-5-(2-chlorophenyl)-3H-thieno[2,3-d]pyrimidin-4-one Formula: C20H23ClN3OS+ MolecularWeight: 388.93412

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CCC1)CC2=NC3=C(C(=CS3)C4=CC=CC=C4Cl)C(=O)N2

Isomeric SMILES

C1CCC[NH+](CCC1)CC2=NC3=C(C(=CS3)C4=CC=CC=C4Cl)C(=O)N2

InChI

InChI=1S/C20H22ClN3OS/c21-16-9-5-4-8-14(16)15-13-26-20-18(15)19(25)22-17(23-20)12-24-10-6-2-1-3-7-11-24/h4-5,8-9,13H,1-3,6-7,10-12H2,(H,22,23,25)/p+1