8-[(4-ethylpiperazin-1-ium-1-yl)methyl]-3-naphthalen-2-yloxy-4-oxidanylidene-2-(trifluoromethyl)chromen-7-olate

Systemtic Name: 8-[(4-ethylpiperazin-1-ium-1-yl)methyl]-3-naphthalen-2-yloxy-4-oxidanylidene-2-(trifluoromethyl)chromen-7-olate Openeye Name: 8-[(4-ethylpiperazin-1-ium-1-yl)methyl]-3-(2-naphthyloxy)-4-oxo-2-(trifluoromethyl)chromen-7-olate CAS Name: 8-[(4-ethyl-1-piperazin-1-iumyl)methyl]-3-(2-naphthalenyloxy)-4-oxo-2-(trifluoromethyl)-1-benzopyran-7-olate IUPAC Name: 8-[(4-ethylpiperazin-1-ium-1-yl)methyl]-3-naphthalen-2-yloxy-4-oxo-2-(trifluoromethyl)chromen-7-olate Traditional Name: 8-[(4-ethylpiperazin-1-ium-1-yl)methyl]-4-keto-3-(2-naphthoxy)-2-(trifluoromethyl)chromen-7-olate Formula: C27H25F3N2O4 MolecularWeight: 498.49361

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CC[NH+](CC1)CC2=C(C=CC3=C2OC(=C(C3=O)OC4=CC5=CC=CC=C5C=C4)C(F)(F)F)[O-]

Isomeric SMILES

CCN1CC[NH+](CC1)CC2=C(C=CC3=C2OC(=C(C3=O)OC4=CC5=CC=CC=C5C=C4)C(F)(F)F)[O-]

InChI

InChI=1S/C27H25F3N2O4/c1-2-31-11-13-32(14-12-31)16-21-22(33)10-9-20-23(34)25(26(27(28,29)30)36-24(20)21)35-19-8-7-17-5-3-4-6-18(17)15-19/h3-10,15,33H,2,11-14,16H2,1H3