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

Systemtic Name: 5-[[3-methyl-2-(phenylmethyl)imidazol-3-ium-1-yl]methyl]-3,3-diphenyl-oxolan-2-one chloride Openeye Name: 5-[(2-benzyl-3-methyl-imidazol-3-ium-1-yl)methyl]-3,3-diphenyl-tetrahydrofuran-2-one chloride CAS Name: 5-[[3-methyl-2-(phenylmethyl)-1-imidazol-3-iumyl]methyl]-3,3-diphenyl-2-oxolanone chloride IUPAC Name: 5-[(2-benzyl-3-methylimidazol-3-ium-1-yl)methyl]-3,3-diphenyloxolan-2-one chloride Traditional Name: 5-[(2-benzyl-3-methyl-imidazol-3-ium-1-yl)methyl]-3,3-diphenyl-tetrahydrofuran-2-one chloride Formula: C28H27ClN2O2 MolecularWeight: 458.97918

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(N(C=C1)CC2CC(C(=O)O2)(C3=CC=CC=C3)C4=CC=CC=C4)CC5=CC=CC=C5.[Cl-]

Isomeric SMILES

C[N+]1=C(N(C=C1)CC2CC(C(=O)O2)(C3=CC=CC=C3)C4=CC=CC=C4)CC5=CC=CC=C5.[Cl-]

InChI

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