3-[3-(4-ethylpiperazin-4-ium-1-yl)-3-oxidanylidene-propyl]-1-prop-2-enyl-6-(trifluoromethyl)quinoxalin-2-one

Systemtic Name: 3-[3-(4-ethylpiperazin-4-ium-1-yl)-3-oxidanylidene-propyl]-1-prop-2-enyl-6-(trifluoromethyl)quinoxalin-2-one Openeye Name: 1-allyl-3-[3-(4-ethylpiperazin-4-ium-1-yl)-3-oxo-propyl]-6-(trifluoromethyl)quinoxalin-2-one CAS Name: 3-[3-(4-ethyl-1-piperazin-4-iumyl)-3-oxopropyl]-1-prop-2-enyl-6-(trifluoromethyl)-2-quinoxalinone IUPAC Name: 3-[3-(4-ethylpiperazin-4-ium-1-yl)-3-oxopropyl]-1-prop-2-enyl-6-(trifluoromethyl)quinoxalin-2-one Traditional Name: 1-allyl-3-[3-(4-ethylpiperazin-4-ium-1-yl)-3-keto-propyl]-6-(trifluoromethyl)quinoxalin-2-one Formula: C21H26F3N4O2+ MolecularWeight: 423.45195

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(=O)CCC2=NC3=C(C=CC(=C3)C(F)(F)F)N(C2=O)CC=C

Isomeric SMILES

CC[NH+]1CCN(CC1)C(=O)CCC2=NC3=C(C=CC(=C3)C(F)(F)F)N(C2=O)CC=C

InChI

InChI=1S/C21H25F3N4O2/c1-3-9-28-18-7-5-15(21(22,23)24)14-17(18)25-16(20(28)30)6-8-19(29)27-12-10-26(4-2)11-13-27/h3,5,7,14H,1,4,6,8-13H2,2H3/p+1