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

Systemtic Name: (E)-1-[4-(4-ethylpiperazin-4-ium-1-yl)-3-fluoranyl-phenyl]-3-(3-methylphenyl)prop-2-en-1-one Openeye Name: (E)-1-[4-(4-ethylpiperazin-4-ium-1-yl)-3-fluoro-phenyl]-3-(m-tolyl)prop-2-en-1-one CAS Name: (E)-1-[4-(4-ethyl-1-piperazin-4-iumyl)-3-fluorophenyl]-3-(3-methylphenyl)-2-propen-1-one IUPAC Name: (E)-1-[4-(4-ethylpiperazin-4-ium-1-yl)-3-fluorophenyl]-3-(3-methylphenyl)prop-2-en-1-one Traditional Name: (E)-1-[4-(4-ethylpiperazin-4-ium-1-yl)-3-fluoro-phenyl]-3-(m-tolyl)prop-2-en-1-one Formula: C22H26FN2O+ MolecularWeight: 353.453043

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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(=CC=C3)C)F

Isomeric SMILES

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

InChI

InChI=1S/C22H25FN2O/c1-3-24-11-13-25(14-12-24)21-9-8-19(16-20(21)23)22(26)10-7-18-6-4-5-17(2)15-18/h4-10,15-16H,3,11-14H2,1-2H3/p+1/b10-7+