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

Systemtic Name: 3-(3,4-dimethoxyphenyl)-8-[(4-ethylpiperazin-4-ium-1-yl)methyl]-7-oxidanyl-2-(trifluoromethyl)chromen-4-one Openeye Name: 3-(3,4-dimethoxyphenyl)-8-[(4-ethylpiperazin-4-ium-1-yl)methyl]-7-hydroxy-2-(trifluoromethyl)chromen-4-one CAS Name: 3-(3,4-dimethoxyphenyl)-8-[(4-ethyl-1-piperazin-4-iumyl)methyl]-7-hydroxy-2-(trifluoromethyl)-1-benzopyran-4-one IUPAC Name: 3-(3,4-dimethoxyphenyl)-8-[(4-ethylpiperazin-4-ium-1-yl)methyl]-7-hydroxy-2-(trifluoromethyl)chromen-4-one Traditional Name: 3-(3,4-dimethoxyphenyl)-8-[(4-ethylpiperazin-4-ium-1-yl)methyl]-7-hydroxy-2-(trifluoromethyl)chromone Formula: C25H28F3N2O5+ MolecularWeight: 493.49543

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H27F3N2O5/c1-4-29-9-11-30(12-10-29)14-17-18(31)7-6-16-22(32)21(24(25(26,27)28)35-23(16)17)15-5-8-19(33-2)20(13-15)34-3/h5-8,13,31H,4,9-12,14H2,1-3H3/p+1