6-(4-methoxyphenyl)-2-(piperidin-1-ium-1-ylmethyl)-1H-thieno[3,2-d]pyrimidin-4-one

Systemtic Name: 6-(4-methoxyphenyl)-2-(piperidin-1-ium-1-ylmethyl)-1H-thieno[3,2-d]pyrimidin-4-one Openeye Name: 6-(4-methoxyphenyl)-2-(piperidin-1-ium-1-ylmethyl)-1H-thieno[3,2-d]pyrimidin-4-one CAS Name: 6-(4-methoxyphenyl)-2-(1-piperidin-1-iumylmethyl)-1H-thieno[3,2-d]pyrimidin-4-one IUPAC Name: 6-(4-methoxyphenyl)-2-(piperidin-1-ium-1-ylmethyl)-1H-thieno[3,2-d]pyrimidin-4-one Traditional Name: 6-(4-methoxyphenyl)-2-(piperidin-1-ium-1-ylmethyl)-1H-thieno[3,2-d]pyrimidin-4-one Formula: C19H22N3O2S+ MolecularWeight: 356.46188

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CC3=C(S2)C(=O)N=C(N3)C[NH+]4CCCCC4

Isomeric SMILES

COC1=CC=C(C=C1)C2=CC3=C(S2)C(=O)N=C(N3)C[NH+]4CCCCC4

InChI

InChI=1S/C19H21N3O2S/c1-24-14-7-5-13(6-8-14)16-11-15-18(25-16)19(23)21-17(20-15)12-22-9-3-2-4-10-22/h5-8,11H,2-4,9-10,12H2,1H3,(H,20,21,23)/p+1