N-[(6-bromanyl-1,3-benzodioxol-5-yl)methylideneamino]-2-[3-cyano-4-(methoxymethyl)-6-methyl-pyridin-1-ium-2-yl]oxy-ethanamide

Systemtic Name: N-[(6-bromanyl-1,3-benzodioxol-5-yl)methylideneamino]-2-[3-cyano-4-(methoxymethyl)-6-methyl-pyridin-1-ium-2-yl]oxy-ethanamide Openeye Name: N-[(6-bromo-1,3-benzodioxol-5-yl)methyleneamino]-2-[3-cyano-4-(methoxymethyl)-6-methyl-pyridin-1-ium-2-yl]oxy-acetamide CAS Name: N-[(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-2-[[3-cyano-4-(methoxymethyl)-6-methyl-2-pyridin-1-iumyl]oxy]acetamide IUPAC Name: N-[(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-2-[3-cyano-4-(methoxymethyl)-6-methylpyridin-1-ium-2-yl]oxyacetamide Traditional Name: N-[(6-bromo-1,3-benzodioxol-5-yl)methyleneamino]-2-[3-cyano-4-(methoxymethyl)-6-methyl-pyridin-1-ium-2-yl]oxy-acetamide Formula: C19H18BrN4O5+ MolecularWeight: 462.27402

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[NH+]C(=C(C(=C1)COC)C#N)OCC(=O)NN=CC2=CC3=C(C=C2Br)OCO3

Isomeric SMILES

CC1=[NH+]C(=C(C(=C1)COC)C#N)OCC(=O)NN=CC2=CC3=C(C=C2Br)OCO3

InChI

InChI=1S/C19H17BrN4O5/c1-11-3-13(8-26-2)14(6-21)19(23-11)27-9-18(25)24-22-7-12-4-16-17(5-15(12)20)29-10-28-16/h3-5,7H,8-10H2,1-2H3,(H,24,25)/p+1