3-(4-bromophenyl)-4-oxidanylidene-8-(pyrrolidin-1-ium-1-ylmethyl)chromen-7-olate

Systemtic Name: 3-(4-bromophenyl)-4-oxidanylidene-8-(pyrrolidin-1-ium-1-ylmethyl)chromen-7-olate Openeye Name: 3-(4-bromophenyl)-4-oxo-8-(pyrrolidin-1-ium-1-ylmethyl)chromen-7-olate CAS Name: 3-(4-bromophenyl)-4-oxo-8-(1-pyrrolidin-1-iumylmethyl)-1-benzopyran-7-olate IUPAC Name: 3-(4-bromophenyl)-4-oxo-8-(pyrrolidin-1-ium-1-ylmethyl)chromen-7-olate Traditional Name: 3-(4-bromophenyl)-4-keto-8-(pyrrolidin-1-ium-1-ylmethyl)chromen-7-olate Formula: C20H18BrNO3 MolecularWeight: 400.26582

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=C(C=CC3=C2OC=C(C3=O)C4=CC=C(C=C4)Br)[O-]

Isomeric SMILES

C1CC[NH+](C1)CC2=C(C=CC3=C2OC=C(C3=O)C4=CC=C(C=C4)Br)[O-]

InChI

InChI=1S/C20H18BrNO3/c21-14-5-3-13(4-6-14)17-12-25-20-15(19(17)24)7-8-18(23)16(20)11-22-9-1-2-10-22/h3-8,12,23H,1-2,9-11H2