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

Systemtic Name: (E)-N-[5-bromanyl-2-(4-methylpiperazin-4-ium-1-yl)phenyl]-3-(4-prop-2-enoxyphenyl)prop-2-enamide Openeye Name: (E)-3-(4-allyloxyphenyl)-N-[5-bromo-2-(4-methylpiperazin-4-ium-1-yl)phenyl]prop-2-enamide CAS Name: (E)-N-[5-bromo-2-(4-methyl-1-piperazin-4-iumyl)phenyl]-3-(4-prop-2-enoxyphenyl)-2-propenamide IUPAC Name: (E)-N-[5-bromo-2-(4-methylpiperazin-4-ium-1-yl)phenyl]-3-(4-prop-2-enoxyphenyl)prop-2-enamide Traditional Name: (E)-3-(4-allyloxyphenyl)-N-[5-bromo-2-(4-methylpiperazin-4-ium-1-yl)phenyl]acrylamide Formula: C23H27BrN3O2+ MolecularWeight: 457.38338

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26BrN3O2/c1-3-16-29-20-8-4-18(5-9-20)6-11-23(28)25-21-17-19(24)7-10-22(21)27-14-12-26(2)13-15-27/h3-11,17H,1,12-16H2,2H3,(H,25,28)/p+1/b11-6+