6,6-dimethyl-4-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]-1,5-dihydropyrimidin-3-ium-2-thione

Systemtic Name: 6,6-dimethyl-4-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]-1,5-dihydropyrimidin-3-ium-2-thione Openeye Name: 6,6-dimethyl-4-[(E)-2-(3,4,5-trimethoxyphenyl)vinyl]-1,5-dihydropyrimidin-3-ium-2-thione CAS Name: 6,6-dimethyl-4-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]-1,5-dihydropyrimidin-3-ium-2-thione IUPAC Name: 6,6-dimethyl-4-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]-1,5-dihydropyrimidin-3-ium-2-thione Traditional Name: 6,6-dimethyl-4-[(E)-2-(3,4,5-trimethoxyphenyl)vinyl]-1,5-dihydropyrimidin-3-ium-2-thione Formula: C17H23N2O3S+ MolecularWeight: 335.44112

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=[NH+]C(=S)N1)C=CC2=CC(=C(C(=C2)OC)OC)OC)C

Isomeric SMILES

CC1(CC(=[NH+]C(=S)N1)/C=C/C2=CC(=C(C(=C2)OC)OC)OC)C

InChI

InChI=1S/C17H22N2O3S/c1-17(2)10-12(18-16(23)19-17)7-6-11-8-13(20-3)15(22-5)14(9-11)21-4/h6-9H,10H2,1-5H3,(H,19,23)/p+1/b7-6+