(E)-3-(5-bromanyl-2-methoxy-phenyl)-N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]prop-2-enamide

Systemtic Name: (E)-3-(5-bromanyl-2-methoxy-phenyl)-N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]prop-2-enamide Openeye Name: (E)-3-(5-bromo-2-methoxy-phenyl)-N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]prop-2-enamide CAS Name: (E)-3-(5-bromo-2-methoxyphenyl)-N-[4-(4-ethyl-1-piperazin-4-iumyl)phenyl]-2-propenamide IUPAC Name: (E)-3-(5-bromo-2-methoxyphenyl)-N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]prop-2-enamide Traditional Name: (E)-3-(5-bromo-2-methoxy-phenyl)-N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]acrylamide Formula: C22H27BrN3O2+ MolecularWeight: 445.37268

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=CC=C(C=C2)NC(=O)C=CC3=C(C=CC(=C3)Br)OC

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=CC=C(C=C2)NC(=O)/C=C/C3=C(C=CC(=C3)Br)OC

InChI

InChI=1S/C22H26BrN3O2/c1-3-25-12-14-26(15-13-25)20-8-6-19(7-9-20)24-22(27)11-4-17-16-18(23)5-10-21(17)28-2/h4-11,16H,3,12-15H2,1-2H3,(H,24,27)/p+1/b11-4+