6-ethyl-7-oxidanyl-3-(1-phenylpyrazol-4-yl)-8-(piperidin-1-ium-1-ylmethyl)-2-(trifluoromethyl)chromen-4-one

Systemtic Name: 6-ethyl-7-oxidanyl-3-(1-phenylpyrazol-4-yl)-8-(piperidin-1-ium-1-ylmethyl)-2-(trifluoromethyl)chromen-4-one Openeye Name: 6-ethyl-7-hydroxy-3-(1-phenylpyrazol-4-yl)-8-(piperidin-1-ium-1-ylmethyl)-2-(trifluoromethyl)chromen-4-one CAS Name: 6-ethyl-7-hydroxy-3-(1-phenyl-4-pyrazolyl)-8-(1-piperidin-1-iumylmethyl)-2-(trifluoromethyl)-1-benzopyran-4-one IUPAC Name: 6-ethyl-7-hydroxy-3-(1-phenylpyrazol-4-yl)-8-(piperidin-1-ium-1-ylmethyl)-2-(trifluoromethyl)chromen-4-one Traditional Name: 6-ethyl-7-hydroxy-3-(1-phenylpyrazol-4-yl)-8-(piperidin-1-ium-1-ylmethyl)-2-(trifluoromethyl)chromone Formula: C27H27F3N3O3+ MolecularWeight: 498.51679

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C2C(=C1)C(=O)C(=C(O2)C(F)(F)F)C3=CN(N=C3)C4=CC=CC=C4)C[NH+]5CCCCC5)O

Isomeric SMILES

CCC1=C(C(=C2C(=C1)C(=O)C(=C(O2)C(F)(F)F)C3=CN(N=C3)C4=CC=CC=C4)C[NH+]5CCCCC5)O

InChI

InChI=1S/C27H26F3N3O3/c1-2-17-13-20-24(35)22(18-14-31-33(15-18)19-9-5-3-6-10-19)26(27(28,29)30)36-25(20)21(23(17)34)16-32-11-7-4-8-12-32/h3,5-6,9-10,13-15,34H,2,4,7-8,11-12,16H2,1H3/p+1