(E)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(naphthalen-1-ylamino)-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one

Systemtic Name: (E)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(naphthalen-1-ylamino)-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one Openeye Name: (E)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1-naphthylamino)-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one CAS Name: (E)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-mercapto-3-(1-naphthalenylamino)-2-(1-pyridin-1-iumyl)-2-propen-1-one IUPAC Name: (E)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(naphthalen-1-ylamino)-2-pyridin-1-ium-1-yl-3-sulfanylprop-2-en-1-one Traditional Name: (E)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-mercapto-3-(1-naphthylamino)-2-pyridin-1-ium-1-yl-prop-2-en-1-one Formula: C26H21N2O3S+ MolecularWeight: 441.52154

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)C(=O)C(=C(NC3=CC=CC4=CC=CC=C43)S)[N+]5=CC=CC=C5

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)C(=O)/C(=C(/NC3=CC=CC4=CC=CC=C43)\S)/[N+]5=CC=CC=C5

InChI

InChI=1S/C26H20N2O3S/c29-25(19-11-12-22-23(17-19)31-16-15-30-22)24(28-13-4-1-5-14-28)26(32)27-21-10-6-8-18-7-2-3-9-20(18)21/h1-14,17H,15-16H2,(H-,27,29,32)/p+1