(E)-3-(5-bromanyl-2-methoxy-phenyl)-N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]prop-2-enamide

Systemtic Name: (E)-3-(5-bromanyl-2-methoxy-phenyl)-N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]prop-2-enamide Openeye Name: (E)-3-(5-bromo-2-methoxy-phenyl)-N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]prop-2-enamide CAS Name: (E)-3-(5-bromo-2-methoxyphenyl)-N-[4-(4-morpholin-4-iumylmethyl)phenyl]-2-propenamide IUPAC Name: (E)-3-(5-bromo-2-methoxyphenyl)-N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]prop-2-enamide Traditional Name: (E)-3-(5-bromo-2-methoxy-phenyl)-N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]acrylamide Formula: C21H24BrN2O3+ MolecularWeight: 432.33086

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)C=CC(=O)NC2=CC=C(C=C2)C[NH+]3CCOCC3

Isomeric SMILES

COC1=C(C=C(C=C1)Br)/C=C/C(=O)NC2=CC=C(C=C2)C[NH+]3CCOCC3

InChI

InChI=1S/C21H23BrN2O3/c1-26-20-8-5-18(22)14-17(20)4-9-21(25)23-19-6-2-16(3-7-19)15-24-10-12-27-13-11-24/h2-9,14H,10-13,15H2,1H3,(H,23,25)/p+1/b9-4+