1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-phenylazanyl-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-phenylazanyl-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one Openeye Name: 3-anilino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridin-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-(1-pyridin-1-iumyl)-2-propen-1-one IUPAC Name: 3-anilino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridin-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-pyridin-1-ium-1-yl-prop-2-en-1-one Formula: C22H19N2O3S+ MolecularWeight: 391.46286

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)C(=O)C(=C(NC3=CC=CC=C3)S)[N+]4=CC=CC=C4

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)C(=O)C(=C(NC3=CC=CC=C3)S)[N+]4=CC=CC=C4

InChI

InChI=1S/C22H18N2O3S/c25-21(16-9-10-18-19(15-16)27-14-13-26-18)20(24-11-5-2-6-12-24)22(28)23-17-7-3-1-4-8-17/h1-12,15H,13-14H2,(H-,23,25,28)/p+1