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

Systemtic Name: 6-(4-methoxyphenyl)-2-(pyrrolidin-1-ium-1-ylmethyl)-1H-thieno[3,2-d]pyrimidin-4-one Openeye Name: 6-(4-methoxyphenyl)-2-(pyrrolidin-1-ium-1-ylmethyl)-1H-thieno[3,2-d]pyrimidin-4-one CAS Name: 6-(4-methoxyphenyl)-2-(1-pyrrolidin-1-iumylmethyl)-1H-thieno[3,2-d]pyrimidin-4-one IUPAC Name: 6-(4-methoxyphenyl)-2-(pyrrolidin-1-ium-1-ylmethyl)-1H-thieno[3,2-d]pyrimidin-4-one Traditional Name: 6-(4-methoxyphenyl)-2-(pyrrolidin-1-ium-1-ylmethyl)-1H-thieno[3,2-d]pyrimidin-4-one Formula: C18H20N3O2S+ MolecularWeight: 342.4353

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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+]4CCCC4

Isomeric SMILES

COC1=CC=C(C=C1)C2=CC3=C(S2)C(=O)N=C(N3)C[NH+]4CCCC4

InChI

InChI=1S/C18H19N3O2S/c1-23-13-6-4-12(5-7-13)15-10-14-17(24-15)18(22)20-16(19-14)11-21-8-2-3-9-21/h4-7,10H,2-3,8-9,11H2,1H3,(H,19,20,22)/p+1