(E)-2-cyano-3-(2-morpholin-4-ylquinolin-1-ium-3-yl)-N-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)prop-2-enamide

Systemtic Name: (E)-2-cyano-3-(2-morpholin-4-ylquinolin-1-ium-3-yl)-N-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)prop-2-enamide Openeye Name: (E)-2-cyano-3-(2-morpholinoquinolin-1-ium-3-yl)-N-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)prop-2-enamide CAS Name: (E)-2-cyano-3-[2-(4-morpholinyl)-3-quinolin-1-iumyl]-N-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-propenamide IUPAC Name: (E)-2-cyano-3-(2-morpholin-4-ylquinolin-1-ium-3-yl)-N-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)prop-2-enamide Traditional Name: (E)-2-cyano-3-(2-morpholinoquinolin-1-ium-3-yl)-N-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)acrylamide Formula: C25H22N5O6+ MolecularWeight: 488.47208

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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[N+](=O)[O-])OCCO5

Isomeric SMILES

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

InChI

InChI=1S/C25H21N5O6/c26-15-18(25(31)28-20-13-22-23(36-10-9-35-22)14-21(20)30(32)33)12-17-11-16-3-1-2-4-19(16)27-24(17)29-5-7-34-8-6-29/h1-4,11-14H,5-10H2,(H,28,31)/p+1/b18-12+