8-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-3-naphthalen-2-yloxy-7-oxidanyl-2-(trifluoromethyl)chromen-4-one

Systemtic Name: 8-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-3-naphthalen-2-yloxy-7-oxidanyl-2-(trifluoromethyl)chromen-4-one Openeye Name: 7-hydroxy-8-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-3-(2-naphthyloxy)-2-(trifluoromethyl)chromen-4-one CAS Name: 7-hydroxy-8-[(4-methyl-1-piperazine-1,4-diiumyl)methyl]-3-(2-naphthalenyloxy)-2-(trifluoromethyl)-1-benzopyran-4-one IUPAC Name: 7-hydroxy-8-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-3-naphthalen-2-yloxy-2-(trifluoromethyl)chromen-4-one Traditional Name: 7-hydroxy-8-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-3-(2-naphthoxy)-2-(trifluoromethyl)chromone Formula: C26H25F3N2O4+2 MolecularWeight: 486.48291

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[NH+]1CC[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/p+2