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

Systemtic Name: 3-(4-methoxyphenyl)-8-(morpholin-4-ium-4-ylmethyl)-7-oxidanyl-chromen-4-one Openeye Name: 7-hydroxy-3-(4-methoxyphenyl)-8-(morpholin-4-ium-4-ylmethyl)chromen-4-one CAS Name: 7-hydroxy-3-(4-methoxyphenyl)-8-(4-morpholin-4-iumylmethyl)-1-benzopyran-4-one IUPAC Name: 7-hydroxy-3-(4-methoxyphenyl)-8-(morpholin-4-ium-4-ylmethyl)chromen-4-one Traditional Name: 7-hydroxy-3-(4-methoxyphenyl)-8-(morpholin-4-ium-4-ylmethyl)chromone Formula: C21H22NO5+ MolecularWeight: 368.40308

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=COC3=C(C2=O)C=CC(=C3C[NH+]4CCOCC4)O

Isomeric SMILES

COC1=CC=C(C=C1)C2=COC3=C(C2=O)C=CC(=C3C[NH+]4CCOCC4)O

InChI

InChI=1S/C21H21NO5/c1-25-15-4-2-14(3-5-15)18-13-27-21-16(20(18)24)6-7-19(23)17(21)12-22-8-10-26-11-9-22/h2-7,13,23H,8-12H2,1H3/p+1