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

Systemtic Name: 8-[(4-methylpiperazin-1-ium-1-yl)methyl]-3-naphthalen-2-yloxy-4-oxidanylidene-2-(trifluoromethyl)chromen-7-olate Openeye Name: 8-[(4-methylpiperazin-1-ium-1-yl)methyl]-3-(2-naphthyloxy)-4-oxo-2-(trifluoromethyl)chromen-7-olate CAS Name: 8-[(4-methyl-1-piperazin-1-iumyl)methyl]-3-(2-naphthalenyloxy)-4-oxo-2-(trifluoromethyl)-1-benzopyran-7-olate IUPAC Name: 8-[(4-methylpiperazin-1-ium-1-yl)methyl]-3-naphthalen-2-yloxy-4-oxo-2-(trifluoromethyl)chromen-7-olate Traditional Name: 4-keto-8-[(4-methylpiperazin-1-ium-1-yl)methyl]-3-(2-naphthoxy)-2-(trifluoromethyl)chromen-7-olate Formula: C26H23F3N2O4 MolecularWeight: 484.46703

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC[NH+](CC1)CC2=C(C=CC3=C2OC(=C(C3=O)OC4=CC5=CC=CC=C5C=C4)C(F)(F)F)[O-]

Isomeric SMILES

CN1CC[NH+](CC1)CC2=C(C=CC3=C2OC(=C(C3=O)OC4=CC5=CC=CC=C5C=C4)C(F)(F)F)[O-]

InChI

InChI=1S/C26H23F3N2O4/c1-30-10-12-31(13-11-30)15-20-21(32)9-8-19-22(33)24(25(26(27,28)29)35-23(19)20)34-18-7-6-16-4-2-3-5-17(16)14-18/h2-9,14,32H,10-13,15H2,1H3