1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(2,5-dimethylphenyl)amino]-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one

Systemtic Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(2,5-dimethylphenyl)amino]-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one Openeye Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2,5-dimethylanilino)-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one CAS Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2,5-dimethylanilino)-3-mercapto-2-(1-pyridin-1-iumyl)-2-propen-1-one IUPAC Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2,5-dimethylanilino)-2-pyridin-1-ium-1-yl-3-sulfanylprop-2-en-1-one Traditional Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2,5-dimethylanilino)-3-mercapto-2-pyridin-1-ium-1-yl-prop-2-en-1-one Formula: C24H23N2O3S+ MolecularWeight: 419.51602

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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