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

Systemtic Name: (E)-1-[4-(4-ethylpiperazin-4-ium-1-yl)-3-fluoranyl-phenyl]-3-(3-methoxy-2-propan-2-yloxy-phenyl)prop-2-en-1-one Openeye Name: (E)-1-[4-(4-ethylpiperazin-4-ium-1-yl)-3-fluoro-phenyl]-3-(2-isopropoxy-3-methoxy-phenyl)prop-2-en-1-one CAS Name: (E)-1-[4-(4-ethyl-1-piperazin-4-iumyl)-3-fluorophenyl]-3-(3-methoxy-2-propan-2-yloxyphenyl)-2-propen-1-one IUPAC Name: (E)-1-[4-(4-ethylpiperazin-4-ium-1-yl)-3-fluorophenyl]-3-(3-methoxy-2-propan-2-yloxyphenyl)prop-2-en-1-one Traditional Name: (E)-1-[4-(4-ethylpiperazin-4-ium-1-yl)-3-fluoro-phenyl]-3-(2-isopropoxy-3-methoxy-phenyl)prop-2-en-1-one Formula: C25H32FN2O3+ MolecularWeight: 427.531583

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H31FN2O3/c1-5-27-13-15-28(16-14-27)22-11-9-20(17-21(22)26)23(29)12-10-19-7-6-8-24(30-4)25(19)31-18(2)3/h6-12,17-18H,5,13-16H2,1-4H3/p+1/b12-10+