3-[2,4-diphenyl-3-[3-(trimethylazaniumyl)propoxycarbonyl]cyclobutyl]carbonyloxypropyl-trimethyl-azanium diiodide

Systemtic Name: 3-[2,4-diphenyl-3-[3-(trimethylazaniumyl)propoxycarbonyl]cyclobutyl]carbonyloxypropyl-trimethyl-azanium diiodide Openeye Name: 3-[2,4-diphenyl-3-[3-(trimethylammonio)propoxycarbonyl]cyclobutanecarbonyl]oxypropyl-trimethyl-ammonium diiodide CAS Name: trimethyl-[3-[oxo-[3-[oxo-[3-(trimethylammonio)propoxy]methyl]-2,4-diphenylcyclobutyl]methoxy]propyl]ammonium diiodide IUPAC Name: 3-[2,4-diphenyl-3-[3-(trimethylazaniumyl)propoxycarbonyl]cyclobutanecarbonyl]oxypropyl-trimethylazanium diiodide Traditional Name: 3-[2,4-diphenyl-3-[3-(trimethylammonio)propoxycarbonyl]cyclobutanecarbonyl]oxypropyl-trimethyl-ammonium diiodide Formula: C30H44I2N2O4 MolecularWeight: 750.4903

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H44N2O4.2HI/c1-31(2,3)19-13-21-35-29(33)27-25(23-15-9-7-10-16-23)28(26(27)24-17-11-8-12-18-24)30(34)36-22-14-20-32(4,5)6;;/h7-12,15-18,25-28H,13-14,19-22H2,1-6H3;2*1H/q+2;;/p-2