1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(3-methylphenyl)amino]-2-(3-methylpyridin-1-ium-1-yl)-3-sulfanyl-prop-2-en-1-one

Systemtic Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(3-methylphenyl)amino]-2-(3-methylpyridin-1-ium-1-yl)-3-sulfanyl-prop-2-en-1-one Openeye Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3-methylanilino)-2-(3-methylpyridin-1-ium-1-yl)-3-sulfanyl-prop-2-en-1-one CAS Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-mercapto-3-(3-methylanilino)-2-(3-methyl-1-pyridin-1-iumyl)-2-propen-1-one IUPAC Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3-methylanilino)-2-(3-methylpyridin-1-ium-1-yl)-3-sulfanylprop-2-en-1-one Traditional Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-mercapto-2-(3-methylpyridin-1-ium-1-yl)-3-(m-toluidino)prop-2-en-1-one Formula: C24H23N2O3S+ MolecularWeight: 419.51602

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=C(C(=O)C2=CC3=C(C=C2)OCCO3)[N+]4=CC=CC(=C4)C)S

Isomeric SMILES

CC1=CC(=CC=C1)NC(=C(C(=O)C2=CC3=C(C=C2)OCCO3)[N+]4=CC=CC(=C4)C)S

InChI

InChI=1S/C24H22N2O3S/c1-16-5-3-7-19(13-16)25-24(30)22(26-10-4-6-17(2)15-26)23(27)18-8-9-20-21(14-18)29-12-11-28-20/h3-10,13-15H,11-12H2,1-2H3,(H-,25,27,30)/p+1