(2,2-diphenyl-1,3-dioxolan-4-yl)methyl-dimethyl-[8-(trimethylazaniumyl)octyl]azanium diiodide

Systemtic Name: (2,2-diphenyl-1,3-dioxolan-4-yl)methyl-dimethyl-[8-(trimethylazaniumyl)octyl]azanium diiodide Openeye Name: (2,2-diphenyl-1,3-dioxolan-4-yl)methyl-dimethyl-[8-(trimethylammonio)octyl]ammonium diiodide CAS Name: (2,2-diphenyl-1,3-dioxolan-4-yl)methyl-dimethyl-[8-(trimethylammonio)octyl]ammonium diiodide IUPAC Name: (2,2-diphenyl-1,3-dioxolan-4-yl)methyl-dimethyl-[8-(trimethylazaniumyl)octyl]azanium diiodide Traditional Name: (2,2-diphenyl-1,3-dioxolan-4-yl)methyl-dimethyl-[8-(trimethylammonio)octyl]ammonium diiodide Formula: C29H46I2N2O2 MolecularWeight: 708.49668

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CCCCCCCC[N+](C)(C)CC1COC(O1)(C2=CC=CC=C2)C3=CC=CC=C3.[I-].[I-]

Isomeric SMILES

C[N+](C)(C)CCCCCCCC[N+](C)(C)CC1COC(O1)(C2=CC=CC=C2)C3=CC=CC=C3.[I-].[I-]

InChI

InChI=1S/C29H46N2O2.2HI/c1-30(2,3)22-16-8-6-7-9-17-23-31(4,5)24-28-25-32-29(33-28,26-18-12-10-13-19-26)27-20-14-11-15-21-27;;/h10-15,18-21,28H,6-9,16-17,22-25H2,1-5H3;2*1H/q+2;;/p-2