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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CC2=C(C=CC3=C2OC=C(C3=O)OC4=CC=CC=C4Br)[O-]

Isomeric SMILES

CC1CCC[NH+](C1)CC2=C(C=CC3=C2OC=C(C3=O)OC4=CC=CC=C4Br)[O-]

InChI

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