1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-methylpyridin-1-ium-1-yl)-3-phenylazanyl-3-sulfanyl-prop-2-en-1-one

Systemtic Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-methylpyridin-1-ium-1-yl)-3-phenylazanyl-3-sulfanyl-prop-2-en-1-one Openeye Name: 3-anilino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-methylpyridin-1-ium-1-yl)-3-sulfanyl-prop-2-en-1-one CAS Name: 3-anilino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-mercapto-2-(3-methyl-1-pyridin-1-iumyl)-2-propen-1-one IUPAC Name: 3-anilino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-methylpyridin-1-ium-1-yl)-3-sulfanylprop-2-en-1-one Traditional Name: 3-anilino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-mercapto-2-(3-methylpyridin-1-ium-1-yl)prop-2-en-1-one Formula: C23H21N2O3S+ MolecularWeight: 405.48944

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C[N+](=CC=C1)C(=C(NC2=CC=CC=C2)S)C(=O)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CC1=C[N+](=CC=C1)C(=C(NC2=CC=CC=C2)S)C(=O)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C23H20N2O3S/c1-16-6-5-11-25(15-16)21(23(29)24-18-7-3-2-4-8-18)22(26)17-9-10-19-20(14-17)28-13-12-27-19/h2-11,14-15H,12-13H2,1H3,(H-,24,26,29)/p+1