1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(2-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-[(2-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-(2-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-(2-methylanilino)-2-(3-methyl-1-pyridin-1-iumyl)-2-propen-1-one IUPAC Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-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-(o-toluidino)prop-2-en-1-one Formula: C24H23N2O3S+ MolecularWeight: 419.51602

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C[N+](=CC=C1)C(=C(NC2=CC=CC=C2C)S)C(=O)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CC1=C[N+](=CC=C1)C(=C(NC2=CC=CC=C2C)S)C(=O)C3=CC4=C(C=C3)OCCO4

InChI

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