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

Systemtic Name: 2-[(4-phenylmethoxypiperidin-1-ium-1-yl)methyl]-1H-thieno[3,2-d]pyrimidin-4-one Openeye Name: 2-[(4-benzyloxypiperidin-1-ium-1-yl)methyl]-1H-thieno[3,2-d]pyrimidin-4-one CAS Name: 2-[(4-phenylmethoxy-1-piperidin-1-iumyl)methyl]-1H-thieno[3,2-d]pyrimidin-4-one IUPAC Name: 2-[(4-phenylmethoxypiperidin-1-ium-1-yl)methyl]-1H-thieno[3,2-d]pyrimidin-4-one Traditional Name: 2-[(4-benzoxypiperidin-1-ium-1-yl)methyl]-1H-thieno[3,2-d]pyrimidin-4-one Formula: C19H22N3O2S+ MolecularWeight: 356.46188

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1OCC2=CC=CC=C2)CC3=NC(=O)C4=C(N3)C=CS4

Isomeric SMILES

C1C[NH+](CCC1OCC2=CC=CC=C2)CC3=NC(=O)C4=C(N3)C=CS4

InChI

InChI=1S/C19H21N3O2S/c23-19-18-16(8-11-25-18)20-17(21-19)12-22-9-6-15(7-10-22)24-13-14-4-2-1-3-5-14/h1-5,8,11,15H,6-7,9-10,12-13H2,(H,20,21,23)/p+1