1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(prop-2-enylamino)-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-(prop-2-enylamino)-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one Openeye Name: 3-(allylamino)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-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-mercapto-3-(prop-2-enylamino)-2-(1-pyridin-1-iumyl)-2-propen-1-one IUPAC Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(prop-2-enylamino)-2-pyridin-1-ium-1-yl-3-sulfanylprop-2-en-1-one Traditional Name: 3-(allylamino)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-mercapto-2-pyridin-1-ium-1-yl-prop-2-en-1-one Formula: C19H19N2O3S+ MolecularWeight: 355.43076

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=C(C(=O)C1=CC2=C(C=C1)OCCO2)[N+]3=CC=CC=C3)S

Isomeric SMILES

C=CCNC(=C(C(=O)C1=CC2=C(C=C1)OCCO2)[N+]3=CC=CC=C3)S

InChI

InChI=1S/C19H18N2O3S/c1-2-8-20-19(25)17(21-9-4-3-5-10-21)18(22)14-6-7-15-16(13-14)24-12-11-23-15/h2-7,9-10,13H,1,8,11-12H2,(H-,20,22,25)/p+1