3-(3,5-dimethylphenoxy)-6-hexyl-8-(morpholin-4-ium-4-ylmethyl)-7-oxidanyl-2-(trifluoromethyl)chromen-4-one

Systemtic Name: 3-(3,5-dimethylphenoxy)-6-hexyl-8-(morpholin-4-ium-4-ylmethyl)-7-oxidanyl-2-(trifluoromethyl)chromen-4-one Openeye Name: 3-(3,5-dimethylphenoxy)-6-hexyl-7-hydroxy-8-(morpholin-4-ium-4-ylmethyl)-2-(trifluoromethyl)chromen-4-one CAS Name: 3-(3,5-dimethylphenoxy)-6-hexyl-7-hydroxy-8-(4-morpholin-4-iumylmethyl)-2-(trifluoromethyl)-1-benzopyran-4-one IUPAC Name: 3-(3,5-dimethylphenoxy)-6-hexyl-7-hydroxy-8-(morpholin-4-ium-4-ylmethyl)-2-(trifluoromethyl)chromen-4-one Traditional Name: 3-(3,5-dimethylphenoxy)-6-hexyl-7-hydroxy-8-(morpholin-4-ium-4-ylmethyl)-2-(trifluoromethyl)chromone Formula: C29H35F3NO5+ MolecularWeight: 534.58711

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C(C(=C2C(=C1)C(=O)C(=C(O2)C(F)(F)F)OC3=CC(=CC(=C3)C)C)C[NH+]4CCOCC4)O

Isomeric SMILES

CCCCCCC1=C(C(=C2C(=C1)C(=O)C(=C(O2)C(F)(F)F)OC3=CC(=CC(=C3)C)C)C[NH+]4CCOCC4)O

InChI

InChI=1S/C29H34F3NO5/c1-4-5-6-7-8-20-16-22-25(35)27(37-21-14-18(2)13-19(3)15-21)28(29(30,31)32)38-26(22)23(24(20)34)17-33-9-11-36-12-10-33/h13-16,34H,4-12,17H2,1-3H3/p+1