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

Systemtic Name: 5-[[2-methyl-3-(phenylmethyl)imidazol-3-ium-1-yl]methyl]-3,3-diphenyl-oxolan-2-one bromide Openeye Name: 5-[(3-benzyl-2-methyl-imidazol-3-ium-1-yl)methyl]-3,3-diphenyl-tetrahydrofuran-2-one bromide CAS Name: 5-[[2-methyl-3-(phenylmethyl)-1-imidazol-3-iumyl]methyl]-3,3-diphenyl-2-oxolanone bromide IUPAC Name: 5-[(3-benzyl-2-methylimidazol-3-ium-1-yl)methyl]-3,3-diphenyloxolan-2-one bromide Traditional Name: 5-[(3-benzyl-2-methyl-imidazol-3-ium-1-yl)methyl]-3,3-diphenyl-tetrahydrofuran-2-one bromide Formula: C28H27BrN2O2 MolecularWeight: 503.43018

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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)CC5=CC=CC=C5.[Br-]

Isomeric SMILES

CC1=[N+](C=CN1CC2CC(C(=O)O2)(C3=CC=CC=C3)C4=CC=CC=C4)CC5=CC=CC=C5.[Br-]

InChI

InChI=1S/C28H27N2O2.BrH/c1-22-29(20-23-11-5-2-6-12-23)17-18-30(22)21-26-19-28(27(31)32-26,24-13-7-3-8-14-24)25-15-9-4-10-16-25;/h2-18,26H,19-21H2,1H3;1H/q+1;/p-1