(E)-3-(4-bromophenyl)-2-cyano-N-(2-morpholin-4-ium-4-ylethyl)prop-2-enamide

Systemtic Name: (E)-3-(4-bromophenyl)-2-cyano-N-(2-morpholin-4-ium-4-ylethyl)prop-2-enamide Openeye Name: (E)-3-(4-bromophenyl)-2-cyano-N-(2-morpholin-4-ium-4-ylethyl)prop-2-enamide CAS Name: (E)-3-(4-bromophenyl)-2-cyano-N-[2-(4-morpholin-4-iumyl)ethyl]-2-propenamide IUPAC Name: (E)-3-(4-bromophenyl)-2-cyano-N-(2-morpholin-4-ium-4-ylethyl)prop-2-enamide Traditional Name: (E)-3-(4-bromophenyl)-2-cyano-N-(2-morpholin-4-ium-4-ylethyl)acrylamide Formula: C16H19BrN3O2+ MolecularWeight: 365.24496

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCNC(=O)C(=CC2=CC=C(C=C2)Br)C#N

Isomeric SMILES

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

InChI

InChI=1S/C16H18BrN3O2/c17-15-3-1-13(2-4-15)11-14(12-18)16(21)19-5-6-20-7-9-22-10-8-20/h1-4,11H,5-10H2,(H,19,21)/p+1/b14-11+