5-phenyl-2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-ylmethyl)-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 5-phenyl-2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-ylmethyl)-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 5-phenyl-2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-ylmethyl)-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 5-phenyl-2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-ylmethyl)-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 5-phenyl-2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-ylmethyl)-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 5-phenyl-2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-ylmethyl)-3H-thieno[2,3-d]pyrimidin-4-one Formula: C22H20N3OS+ MolecularWeight: 374.4787

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C=C[N+](=C2)CC3=NC4=C(C(=CS4)C5=CC=CC=C5)C(=O)N3

Isomeric SMILES

C1CCC2=C(C1)C=C[N+](=C2)CC3=NC4=C(C(=CS4)C5=CC=CC=C5)C(=O)N3

InChI

InChI=1S/C22H19N3OS/c26-21-20-18(16-7-2-1-3-8-16)14-27-22(20)24-19(23-21)13-25-11-10-15-6-4-5-9-17(15)12-25/h1-3,7-8,10-12,14H,4-6,9,13H2/p+1