3-[2-(3,4-dimethoxyphenyl)ethyl]-2,4-dihydro-1H-thiochromeno[2,3-d]pyrimidin-1-ium-5-one

Systemtic Name: 3-[2-(3,4-dimethoxyphenyl)ethyl]-2,4-dihydro-1H-thiochromeno[2,3-d]pyrimidin-1-ium-5-one Openeye Name: 3-[2-(3,4-dimethoxyphenyl)ethyl]-2,4-dihydro-1H-thiochromeno[2,3-d]pyrimidin-1-ium-5-one CAS Name: 3-[2-(3,4-dimethoxyphenyl)ethyl]-2,4-dihydro-1H-thiochromeno[2,3-d]pyrimidin-1-ium-5-one IUPAC Name: 3-[2-(3,4-dimethoxyphenyl)ethyl]-2,4-dihydro-1H-thiochromeno[2,3-d]pyrimidin-1-ium-5-one Traditional Name: 3-homoveratryl-2,4-dihydro-1H-thiochromeno[2,3-d]pyrimidin-1-ium-5-one Formula: C21H23N2O3S+ MolecularWeight: 383.48392

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCN2CC3=C([NH2+]C2)SC4=CC=CC=C4C3=O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCN2CC3=C([NH2+]C2)SC4=CC=CC=C4C3=O)OC

InChI

InChI=1S/C21H22N2O3S/c1-25-17-8-7-14(11-18(17)26-2)9-10-23-12-16-20(24)15-5-3-4-6-19(15)27-21(16)22-13-23/h3-8,11,22H,9-10,12-13H2,1-2H3/p+1