3-(4-bromophenyl)-8-(morpholin-4-ium-4-ylmethyl)-4-oxidanylidene-chromen-7-olate

Systemtic Name: 3-(4-bromophenyl)-8-(morpholin-4-ium-4-ylmethyl)-4-oxidanylidene-chromen-7-olate Openeye Name: 3-(4-bromophenyl)-8-(morpholin-4-ium-4-ylmethyl)-4-oxo-chromen-7-olate CAS Name: 3-(4-bromophenyl)-8-(4-morpholin-4-iumylmethyl)-4-oxo-1-benzopyran-7-olate IUPAC Name: 3-(4-bromophenyl)-8-(morpholin-4-ium-4-ylmethyl)-4-oxochromen-7-olate Traditional Name: 3-(4-bromophenyl)-4-keto-8-(morpholin-4-ium-4-ylmethyl)chromen-7-olate Formula: C20H18BrNO4 MolecularWeight: 416.26522

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CC2=C(C=CC3=C2OC=C(C3=O)C4=CC=C(C=C4)Br)[O-]

Isomeric SMILES

C1COCC[NH+]1CC2=C(C=CC3=C2OC=C(C3=O)C4=CC=C(C=C4)Br)[O-]

InChI

InChI=1S/C20H18BrNO4/c21-14-3-1-13(2-4-14)17-12-26-20-15(19(17)24)5-6-18(23)16(20)11-22-7-9-25-10-8-22/h1-6,12,23H,7-11H2