2-[2,4-diphenyl-3-[2-(trimethylazaniumyl)ethoxycarbonyl]cyclobutyl]carbonyloxyethyl-trimethyl-azanium diiodide

Systemtic Name: 2-[2,4-diphenyl-3-[2-(trimethylazaniumyl)ethoxycarbonyl]cyclobutyl]carbonyloxyethyl-trimethyl-azanium diiodide Openeye Name: 2-[2,4-diphenyl-3-[2-(trimethylammonio)ethoxycarbonyl]cyclobutanecarbonyl]oxyethyl-trimethyl-ammonium diiodide CAS Name: trimethyl-[2-[oxo-[3-[oxo-[2-(trimethylammonio)ethoxy]methyl]-2,4-diphenylcyclobutyl]methoxy]ethyl]ammonium diiodide IUPAC Name: 2-[2,4-diphenyl-3-[2-(trimethylazaniumyl)ethoxycarbonyl]cyclobutanecarbonyl]oxyethyl-trimethylazanium diiodide Traditional Name: 2-[2,4-diphenyl-3-[2-(trimethylammonio)ethoxycarbonyl]cyclobutanecarbonyl]oxyethyl-trimethyl-ammonium diiodide Formula: C28H40I2N2O4 MolecularWeight: 722.43714

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CCOC(=O)C1C(C(C1C2=CC=CC=C2)C(=O)OCC[N+](C)(C)C)C3=CC=CC=C3.[I-].[I-]

Isomeric SMILES

C[N+](C)(C)CCOC(=O)C1C(C(C1C2=CC=CC=C2)C(=O)OCC[N+](C)(C)C)C3=CC=CC=C3.[I-].[I-]

InChI

InChI=1S/C28H40N2O4.2HI/c1-29(2,3)17-19-33-27(31)25-23(21-13-9-7-10-14-21)26(24(25)22-15-11-8-12-16-22)28(32)34-20-18-30(4,5)6;;/h7-16,23-26H,17-20H2,1-6H3;2*1H/q+2;;/p-2