(E)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-morpholin-4-ylethylamino)-2-pyridin-1-ium-1-yl-3-sulfanylidene-prop-1-en-1-olate

Systemtic Name: (E)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-morpholin-4-ylethylamino)-2-pyridin-1-ium-1-yl-3-sulfanylidene-prop-1-en-1-olate Openeye Name: (E)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-morpholinoethylamino)-2-pyridin-1-ium-1-yl-3-thioxo-prop-1-en-1-olate CAS Name: (E)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-(4-morpholinyl)ethylamino]-2-(1-pyridin-1-iumyl)-3-sulfanylidene-1-propen-1-olate IUPAC Name: (E)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-morpholin-4-ylethylamino)-2-pyridin-1-ium-1-yl-3-sulfanylideneprop-1-en-1-olate Traditional Name: (E)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-morpholinoethylamino)-2-pyridin-1-ium-1-yl-3-thioxo-prop-1-en-1-olate Formula: C22H25N3O4S MolecularWeight: 427.5166

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCNC(=S)C(=C(C2=CC3=C(C=C2)OCCO3)[O-])[N+]4=CC=CC=C4

Isomeric SMILES

C1COCCN1CCNC(=S)/C(=C(/C2=CC3=C(C=C2)OCCO3)\[O-])/[N+]4=CC=CC=C4

InChI

InChI=1S/C22H25N3O4S/c26-21(17-4-5-18-19(16-17)29-15-14-28-18)20(25-7-2-1-3-8-25)22(30)23-6-9-24-10-12-27-13-11-24/h1-5,7-8,16H,6,9-15H2,(H-,23,26,30)