(E)-2-cyano-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-morpholin-4-ylquinolin-1-ium-3-yl)prop-2-enamide

Systemtic Name: (E)-2-cyano-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-morpholin-4-ylquinolin-1-ium-3-yl)prop-2-enamide Openeye Name: (E)-2-cyano-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-morpholinoquinolin-1-ium-3-yl)prop-2-enamide CAS Name: (E)-2-cyano-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-(4-morpholinyl)-3-quinolin-1-iumyl]-2-propenamide IUPAC Name: (E)-2-cyano-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-morpholin-4-ylquinolin-1-ium-3-yl)prop-2-enamide Traditional Name: (E)-2-cyano-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-morpholinoquinolin-1-ium-3-yl)acrylamide Formula: C25H23N4O4+ MolecularWeight: 443.47452

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=[NH+]C3=CC=CC=C3C=C2C=C(C#N)C(=O)NC4=CC5=C(C=C4)OCCO5

Isomeric SMILES

C1COCCN1C2=[NH+]C3=CC=CC=C3C=C2/C=C(\C#N)/C(=O)NC4=CC5=C(C=C4)OCCO5

InChI

InChI=1S/C25H22N4O4/c26-16-19(25(30)27-20-5-6-22-23(15-20)33-12-11-32-22)14-18-13-17-3-1-2-4-21(17)28-24(18)29-7-9-31-10-8-29/h1-6,13-15H,7-12H2,(H,27,30)/p+1/b19-14+