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

Systemtic Name: (E)-1-[4-(4-ethylpiperazin-4-ium-1-yl)-3-fluoranyl-phenyl]-3-(3-methoxy-4-oxidanyl-phenyl)prop-2-en-1-one Openeye Name: (E)-1-[4-(4-ethylpiperazin-4-ium-1-yl)-3-fluoro-phenyl]-3-(4-hydroxy-3-methoxy-phenyl)prop-2-en-1-one CAS Name: (E)-1-[4-(4-ethyl-1-piperazin-4-iumyl)-3-fluorophenyl]-3-(4-hydroxy-3-methoxyphenyl)-2-propen-1-one IUPAC Name: (E)-1-[4-(4-ethylpiperazin-4-ium-1-yl)-3-fluorophenyl]-3-(4-hydroxy-3-methoxyphenyl)prop-2-en-1-one Traditional Name: (E)-1-[4-(4-ethylpiperazin-4-ium-1-yl)-3-fluoro-phenyl]-3-(4-hydroxy-3-methoxy-phenyl)prop-2-en-1-one Formula: C22H26FN2O3+ MolecularWeight: 385.451843

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25FN2O3/c1-3-24-10-12-25(13-11-24)19-7-6-17(15-18(19)23)20(26)8-4-16-5-9-21(27)22(14-16)28-2/h4-9,14-15,27H,3,10-13H2,1-2H3/p+1/b8-4+