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

Systemtic Name: 8-[(4-ethylpiperazin-4-ium-1-yl)methyl]-3-naphthalen-2-yloxy-7-oxidanyl-2-(trifluoromethyl)chromen-4-one Openeye Name: 8-[(4-ethylpiperazin-4-ium-1-yl)methyl]-7-hydroxy-3-(2-naphthyloxy)-2-(trifluoromethyl)chromen-4-one CAS Name: 8-[(4-ethyl-1-piperazin-4-iumyl)methyl]-7-hydroxy-3-(2-naphthalenyloxy)-2-(trifluoromethyl)-1-benzopyran-4-one IUPAC Name: 8-[(4-ethylpiperazin-4-ium-1-yl)methyl]-7-hydroxy-3-naphthalen-2-yloxy-2-(trifluoromethyl)chromen-4-one Traditional Name: 8-[(4-ethylpiperazin-4-ium-1-yl)methyl]-7-hydroxy-3-(2-naphthoxy)-2-(trifluoromethyl)chromone Formula: C27H26F3N2O4+ MolecularWeight: 499.50155

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)CC2=C(C=CC3=C2OC(=C(C3=O)OC4=CC5=CC=CC=C5C=C4)C(F)(F)F)O

Isomeric SMILES

CC[NH+]1CCN(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/p+1