3-(4-tert-butylphenoxy)-8-(morpholin-4-ium-4-ylmethyl)-7-oxidanyl-chromen-4-one

Systemtic Name: 3-(4-tert-butylphenoxy)-8-(morpholin-4-ium-4-ylmethyl)-7-oxidanyl-chromen-4-one Openeye Name: 3-(4-tert-butylphenoxy)-7-hydroxy-8-(morpholin-4-ium-4-ylmethyl)chromen-4-one CAS Name: 3-(4-tert-butylphenoxy)-7-hydroxy-8-(4-morpholin-4-iumylmethyl)-1-benzopyran-4-one IUPAC Name: 3-(4-tert-butylphenoxy)-7-hydroxy-8-(morpholin-4-ium-4-ylmethyl)chromen-4-one Traditional Name: 3-(4-tert-butylphenoxy)-7-hydroxy-8-(morpholin-4-ium-4-ylmethyl)chromone Formula: C24H28NO5+ MolecularWeight: 410.48282

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OC2=COC3=C(C2=O)C=CC(=C3C[NH+]4CCOCC4)O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OC2=COC3=C(C2=O)C=CC(=C3C[NH+]4CCOCC4)O

InChI

InChI=1S/C24H27NO5/c1-24(2,3)16-4-6-17(7-5-16)30-21-15-29-23-18(22(21)27)8-9-20(26)19(23)14-25-10-12-28-13-11-25/h4-9,15,26H,10-14H2,1-3H3/p+1