(E)-3-[5-(4-bromophenyl)furan-2-yl]-2-cyano-N-(2-morpholin-4-ium-4-ylethyl)prop-2-enamide

Systemtic Name: (E)-3-[5-(4-bromophenyl)furan-2-yl]-2-cyano-N-(2-morpholin-4-ium-4-ylethyl)prop-2-enamide Openeye Name: (E)-3-[5-(4-bromophenyl)-2-furyl]-2-cyano-N-(2-morpholin-4-ium-4-ylethyl)prop-2-enamide CAS Name: (E)-3-[5-(4-bromophenyl)-2-furanyl]-2-cyano-N-[2-(4-morpholin-4-iumyl)ethyl]-2-propenamide IUPAC Name: (E)-3-[5-(4-bromophenyl)furan-2-yl]-2-cyano-N-(2-morpholin-4-ium-4-ylethyl)prop-2-enamide Traditional Name: (E)-3-[5-(4-bromophenyl)-2-furyl]-2-cyano-N-(2-morpholin-4-ium-4-ylethyl)acrylamide Formula: C20H21BrN3O3+ MolecularWeight: 431.30304

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCNC(=O)C(=CC2=CC=C(O2)C3=CC=C(C=C3)Br)C#N

Isomeric SMILES

C1COCC[NH+]1CCNC(=O)/C(=C/C2=CC=C(O2)C3=CC=C(C=C3)Br)/C#N

InChI

InChI=1S/C20H20BrN3O3/c21-17-3-1-15(2-4-17)19-6-5-18(27-19)13-16(14-22)20(25)23-7-8-24-9-11-26-12-10-24/h1-6,13H,7-12H2,(H,23,25)/p+1/b16-13+