2-[(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)methyl]-1H-thieno[3,2-d]pyrimidin-4-one

Systemtic Name: 2-[(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)methyl]-1H-thieno[3,2-d]pyrimidin-4-one Openeye Name: 2-[(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)methyl]-1H-thieno[3,2-d]pyrimidin-4-one CAS Name: 2-[(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)methyl]-1H-thieno[3,2-d]pyrimidin-4-one IUPAC Name: 2-[(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)methyl]-1H-thieno[3,2-d]pyrimidin-4-one Traditional Name: 2-[(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)methyl]-1H-thieno[3,2-d]pyrimidin-4-one Formula: C18H18N3OS+ MolecularWeight: 324.42002

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC=C1C2=CC=CC=C2)CC3=NC(=O)C4=C(N3)C=CS4

Isomeric SMILES

C1C[NH+](CC=C1C2=CC=CC=C2)CC3=NC(=O)C4=C(N3)C=CS4

InChI

InChI=1S/C18H17N3OS/c22-18-17-15(8-11-23-17)19-16(20-18)12-21-9-6-14(7-10-21)13-4-2-1-3-5-13/h1-6,8,11H,7,9-10,12H2,(H,19,20,22)/p+1