5-[(2,3-dimethylimidazol-3-ium-1-yl)methyl]-3,3-diphenyl-oxolan-2-one bromide

Systemtic Name: 5-[(2,3-dimethylimidazol-3-ium-1-yl)methyl]-3,3-diphenyl-oxolan-2-one bromide Openeye Name: 5-[(2,3-dimethylimidazol-3-ium-1-yl)methyl]-3,3-diphenyl-tetrahydrofuran-2-one bromide CAS Name: 5-[(2,3-dimethyl-1-imidazol-3-iumyl)methyl]-3,3-diphenyl-2-oxolanone bromide IUPAC Name: 5-[(2,3-dimethylimidazol-3-ium-1-yl)methyl]-3,3-diphenyloxolan-2-one bromide Traditional Name: 5-[(2,3-dimethylimidazol-3-ium-1-yl)methyl]-3,3-diphenyl-tetrahydrofuran-2-one bromide Formula: C22H23BrN2O2 MolecularWeight: 427.33422

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C=CN1CC2CC(C(=O)O2)(C3=CC=CC=C3)C4=CC=CC=C4)C.[Br-]

Isomeric SMILES

CC1=[N+](C=CN1CC2CC(C(=O)O2)(C3=CC=CC=C3)C4=CC=CC=C4)C.[Br-]

InChI

InChI=1S/C22H23N2O2.BrH/c1-17-23(2)13-14-24(17)16-20-15-22(21(25)26-20,18-9-5-3-6-10-18)19-11-7-4-8-12-19;/h3-14,20H,15-16H2,1-2H3;1H/q+1;/p-1