[2-(5-bromanyl-2,4-dimethoxy-phenyl)-3,4-bis(oxidanylidene)cyclobuten-1-yl]-dimethyl-phenethyl-azanium

Systemtic Name: [2-(5-bromanyl-2,4-dimethoxy-phenyl)-3,4-bis(oxidanylidene)cyclobuten-1-yl]-dimethyl-phenethyl-azanium Openeye Name: [2-(5-bromo-2,4-dimethoxy-phenyl)-3,4-dioxo-cyclobuten-1-yl]-dimethyl-phenethyl-ammonium CAS Name: [2-(5-bromo-2,4-dimethoxyphenyl)-3,4-dioxo-1-cyclobutenyl]-dimethyl-phenethylammonium IUPAC Name: [2-(5-bromo-2,4-dimethoxyphenyl)-3,4-dioxocyclobuten-1-yl]-dimethyl-phenethylazanium Traditional Name: [2-(5-bromo-2,4-dimethoxy-phenyl)-3,4-diketo-cyclobuten-1-yl]-dimethyl-phenethyl-ammonium Formula: C22H23BrNO4+ MolecularWeight: 445.32632

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(CCC1=CC=CC=C1)C2=C(C(=O)C2=O)C3=CC(=C(C=C3OC)OC)Br

Isomeric SMILES

C[N+](C)(CCC1=CC=CC=C1)C2=C(C(=O)C2=O)C3=CC(=C(C=C3OC)OC)Br

InChI

InChI=1S/C22H23BrNO4/c1-24(2,11-10-14-8-6-5-7-9-14)20-19(21(25)22(20)26)15-12-16(23)18(28-4)13-17(15)27-3/h5-9,12-13H,10-11H2,1-4H3/q+1