1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(3-methoxyphenyl)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-methoxyphenyl)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-methoxyanilino)-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-methoxyanilino)-2-(3-methyl-1-pyridin-1-iumyl)-2-propen-1-one IUPAC Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3-methoxyanilino)-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-(m-anisidino)-3-mercapto-2-(3-methylpyridin-1-ium-1-yl)prop-2-en-1-one Formula: C24H23N2O4S+ MolecularWeight: 435.51542

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H22N2O4S/c1-16-5-4-10-26(15-16)22(24(31)25-18-6-3-7-19(14-18)28-2)23(27)17-8-9-20-21(13-17)30-12-11-29-20/h3-10,13-15H,11-12H2,1-2H3,(H-,25,27,31)/p+1