[4-acetyloxy-4-[4-[1-acetyloxy-4-(trimethylazaniumyl)butyl]phenyl]butyl]-trimethyl-azanium diiodide

Systemtic Name: [4-acetyloxy-4-[4-[1-acetyloxy-4-(trimethylazaniumyl)butyl]phenyl]butyl]-trimethyl-azanium diiodide Openeye Name: [4-acetoxy-4-[4-[1-acetoxy-4-(trimethylammonio)butyl]phenyl]butyl]-trimethyl-ammonium diiodide CAS Name: [4-acetyloxy-4-[4-[1-acetyloxy-4-(trimethylammonio)butyl]phenyl]butyl]-trimethylammonium diiodide IUPAC Name: [4-acetyloxy-4-[4-[1-acetyloxy-4-(trimethylazaniumyl)butyl]phenyl]butyl]-trimethylazanium diiodide Traditional Name: [4-acetoxy-4-[4-[1-acetoxy-4-(trimethylammonio)butyl]phenyl]butyl]-trimethyl-ammonium diiodide Formula: C24H42I2N2O4 MolecularWeight: 676.41022

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC(CCC[N+](C)(C)C)C1=CC=C(C=C1)C(CCC[N+](C)(C)C)OC(=O)C.[I-].[I-]

Isomeric SMILES

CC(=O)OC(CCC[N+](C)(C)C)C1=CC=C(C=C1)C(CCC[N+](C)(C)C)OC(=O)C.[I-].[I-]

InChI

InChI=1S/C24H42N2O4.2HI/c1-19(27)29-23(11-9-17-25(3,4)5)21-13-15-22(16-14-21)24(30-20(2)28)12-10-18-26(6,7)8;;/h13-16,23-24H,9-12,17-18H2,1-8H3;2*1H/q+2;;/p-2