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

Systemtic Name: 2-[[(2R)-2-(4-methoxyphenyl)azepan-1-ium-1-yl]methyl]-1H-thieno[3,2-d]pyrimidin-4-one Openeye Name: 2-[[(2R)-2-(4-methoxyphenyl)azepan-1-ium-1-yl]methyl]-1H-thieno[3,2-d]pyrimidin-4-one CAS Name: 2-[[(2R)-2-(4-methoxyphenyl)-1-azepan-1-iumyl]methyl]-1H-thieno[3,2-d]pyrimidin-4-one IUPAC Name: 2-[[(2R)-2-(4-methoxyphenyl)azepan-1-ium-1-yl]methyl]-1H-thieno[3,2-d]pyrimidin-4-one Traditional Name: 2-[[(2R)-2-(4-methoxyphenyl)azepan-1-ium-1-yl]methyl]-1H-thieno[3,2-d]pyrimidin-4-one Formula: C20H24N3O2S+ MolecularWeight: 370.48846

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2CCCCC[NH+]2CC3=NC(=O)C4=C(N3)C=CS4

Isomeric SMILES

COC1=CC=C(C=C1)[C@H]2CCCCC[NH+]2CC3=NC(=O)C4=C(N3)C=CS4

InChI

InChI=1S/C20H23N3O2S/c1-25-15-8-6-14(7-9-15)17-5-3-2-4-11-23(17)13-18-21-16-10-12-26-19(16)20(24)22-18/h6-10,12,17H,2-5,11,13H2,1H3,(H,21,22,24)/p+1/t17-/m1/s1