3-(2-bromanylphenoxy)-4-oxidanylidene-8-(piperidin-1-ium-1-ylmethyl)chromen-7-olate

Systemtic Name: 3-(2-bromanylphenoxy)-4-oxidanylidene-8-(piperidin-1-ium-1-ylmethyl)chromen-7-olate Openeye Name: 3-(2-bromophenoxy)-4-oxo-8-(piperidin-1-ium-1-ylmethyl)chromen-7-olate CAS Name: 3-(2-bromophenoxy)-4-oxo-8-(1-piperidin-1-iumylmethyl)-1-benzopyran-7-olate IUPAC Name: 3-(2-bromophenoxy)-4-oxo-8-(piperidin-1-ium-1-ylmethyl)chromen-7-olate Traditional Name: 3-(2-bromophenoxy)-4-keto-8-(piperidin-1-ium-1-ylmethyl)chromen-7-olate Formula: C21H20BrNO4 MolecularWeight: 430.2918

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=C(C=CC3=C2OC=C(C3=O)OC4=CC=CC=C4Br)[O-]

Isomeric SMILES

C1CC[NH+](CC1)CC2=C(C=CC3=C2OC=C(C3=O)OC4=CC=CC=C4Br)[O-]

InChI

InChI=1S/C21H20BrNO4/c22-16-6-2-3-7-18(16)27-19-13-26-21-14(20(19)25)8-9-17(24)15(21)12-23-10-4-1-5-11-23/h2-3,6-9,13,24H,1,4-5,10-12H2