(Z)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(prop-2-enylamino)-2-pyridin-1-ium-1-yl-3-sulfanylidene-prop-1-en-1-olate

Systemtic Name: (Z)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(prop-2-enylamino)-2-pyridin-1-ium-1-yl-3-sulfanylidene-prop-1-en-1-olate Openeye Name: (Z)-3-(allylamino)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridin-1-ium-1-yl-3-thioxo-prop-1-en-1-olate CAS Name: (Z)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(prop-2-enylamino)-2-(1-pyridin-1-iumyl)-3-sulfanylidene-1-propen-1-olate IUPAC Name: (Z)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(prop-2-enylamino)-2-pyridin-1-ium-1-yl-3-sulfanylideneprop-1-en-1-olate Traditional Name: (Z)-3-(allylamino)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridin-1-ium-1-yl-3-thioxo-prop-1-en-1-olate Formula: C19H18N2O3S MolecularWeight: 354.42282

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

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)