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

Systemtic Name: (E)-1-[4-(4-ethylpiperazin-4-ium-1-yl)-3-fluoranyl-phenyl]-3-(2-methoxyphenyl)prop-2-en-1-one Openeye Name: (E)-1-[4-(4-ethylpiperazin-4-ium-1-yl)-3-fluoro-phenyl]-3-(2-methoxyphenyl)prop-2-en-1-one CAS Name: (E)-1-[4-(4-ethyl-1-piperazin-4-iumyl)-3-fluorophenyl]-3-(2-methoxyphenyl)-2-propen-1-one IUPAC Name: (E)-1-[4-(4-ethylpiperazin-4-ium-1-yl)-3-fluorophenyl]-3-(2-methoxyphenyl)prop-2-en-1-one Traditional Name: (E)-1-[4-(4-ethylpiperazin-4-ium-1-yl)-3-fluoro-phenyl]-3-(2-methoxyphenyl)prop-2-en-1-one Formula: C22H26FN2O2+ MolecularWeight: 369.452443

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=CC=C3OC)F

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=C(C=C(C=C2)C(=O)/C=C/C3=CC=CC=C3OC)F

InChI

InChI=1S/C22H25FN2O2/c1-3-24-12-14-25(15-13-24)20-10-8-18(16-19(20)23)21(26)11-9-17-6-4-5-7-22(17)27-2/h4-11,16H,3,12-15H2,1-2H3/p+1/b11-9+