3-(2-bromanylphenoxy)-8-[(2-methylpiperidin-1-ium-1-yl)methyl]-4-oxidanylidene-chromen-7-olate

Systemtic Name: 3-(2-bromanylphenoxy)-8-[(2-methylpiperidin-1-ium-1-yl)methyl]-4-oxidanylidene-chromen-7-olate Openeye Name: 3-(2-bromophenoxy)-8-[(2-methylpiperidin-1-ium-1-yl)methyl]-4-oxo-chromen-7-olate CAS Name: 3-(2-bromophenoxy)-8-[(2-methyl-1-piperidin-1-iumyl)methyl]-4-oxo-1-benzopyran-7-olate IUPAC Name: 3-(2-bromophenoxy)-8-[(2-methylpiperidin-1-ium-1-yl)methyl]-4-oxochromen-7-olate Traditional Name: 3-(2-bromophenoxy)-4-keto-8-[(2-methylpiperidin-1-ium-1-yl)methyl]chromen-7-olate Formula: C22H22BrNO4 MolecularWeight: 444.31838

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1CC2=C(C=CC3=C2OC=C(C3=O)OC4=CC=CC=C4Br)[O-]

Isomeric SMILES

CC1CCCC[NH+]1CC2=C(C=CC3=C2OC=C(C3=O)OC4=CC=CC=C4Br)[O-]

InChI

InChI=1S/C22H22BrNO4/c1-14-6-4-5-11-24(14)12-16-18(25)10-9-15-21(26)20(13-27-22(15)16)28-19-8-3-2-7-17(19)23/h2-3,7-10,13-14,25H,4-6,11-12H2,1H3