(E)-3-(3-ethoxy-4-methoxy-phenyl)-1-[4-(4-ethylpiperazin-4-ium-1-yl)-3-fluoranyl-phenyl]prop-2-en-1-one

Systemtic Name: (E)-3-(3-ethoxy-4-methoxy-phenyl)-1-[4-(4-ethylpiperazin-4-ium-1-yl)-3-fluoranyl-phenyl]prop-2-en-1-one Openeye Name: (E)-3-(3-ethoxy-4-methoxy-phenyl)-1-[4-(4-ethylpiperazin-4-ium-1-yl)-3-fluoro-phenyl]prop-2-en-1-one CAS Name: (E)-3-(3-ethoxy-4-methoxyphenyl)-1-[4-(4-ethyl-1-piperazin-4-iumyl)-3-fluorophenyl]-2-propen-1-one IUPAC Name: (E)-3-(3-ethoxy-4-methoxyphenyl)-1-[4-(4-ethylpiperazin-4-ium-1-yl)-3-fluorophenyl]prop-2-en-1-one Traditional Name: (E)-3-(3-ethoxy-4-methoxy-phenyl)-1-[4-(4-ethylpiperazin-4-ium-1-yl)-3-fluoro-phenyl]prop-2-en-1-one Formula: C24H30FN2O3+ MolecularWeight: 413.505003

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H29FN2O3/c1-4-26-12-14-27(15-13-26)21-9-8-19(17-20(21)25)22(28)10-6-18-7-11-23(29-3)24(16-18)30-5-2/h6-11,16-17H,4-5,12-15H2,1-3H3/p+1/b10-6+