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

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

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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)OCC)OC)F

Isomeric SMILES

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

InChI

InChI=1S/C24H29FN2O3/c1-4-26-13-15-27(16-14-26)21-11-9-19(17-20(21)25)22(28)12-10-18-7-6-8-23(30-5-2)24(18)29-3/h6-12,17H,4-5,13-16H2,1-3H3/p+1/b12-10+