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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C2=C(O1)C(=C(C=C2)[O-])C[NH+]3CCCC3)OC4=CC=CC=C4Br

Isomeric SMILES

CC1=C(C(=O)C2=C(O1)C(=C(C=C2)[O-])C[NH+]3CCCC3)OC4=CC=CC=C4Br

InChI

InChI=1S/C21H20BrNO4/c1-13-20(27-18-7-3-2-6-16(18)22)19(25)14-8-9-17(24)15(21(14)26-13)12-23-10-4-5-11-23/h2-3,6-9,24H,4-5,10-12H2,1H3