3-(4-bromophenyl)-7-(2-morpholin-4-ium-4-ylethoxy)chromen-4-one

Systemtic Name: 3-(4-bromophenyl)-7-(2-morpholin-4-ium-4-ylethoxy)chromen-4-one Openeye Name: 3-(4-bromophenyl)-7-(2-morpholin-4-ium-4-ylethoxy)chromen-4-one CAS Name: 3-(4-bromophenyl)-7-[2-(4-morpholin-4-iumyl)ethoxy]-1-benzopyran-4-one IUPAC Name: 3-(4-bromophenyl)-7-(2-morpholin-4-ium-4-ylethoxy)chromen-4-one Traditional Name: 3-(4-bromophenyl)-7-(2-morpholin-4-ium-4-ylethoxy)chromone Formula: C21H21BrNO4+ MolecularWeight: 431.29974

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCOC2=CC3=C(C=C2)C(=O)C(=CO3)C4=CC=C(C=C4)Br

Isomeric SMILES

C1COCC[NH+]1CCOC2=CC3=C(C=C2)C(=O)C(=CO3)C4=CC=C(C=C4)Br

InChI

InChI=1S/C21H20BrNO4/c22-16-3-1-15(2-4-16)19-14-27-20-13-17(5-6-18(20)21(19)24)26-12-9-23-7-10-25-11-8-23/h1-6,13-14H,7-12H2/p+1