2-acetyloxyethyl-[[4-[[2-acetyloxyethyl(dimethyl)azaniumyl]methyl]phenyl]methyl]-dimethyl-azanium; 3-nitrobenzenesulfonate

Systemtic Name: 2-acetyloxyethyl-[[4-[[2-acetyloxyethyl(dimethyl)azaniumyl]methyl]phenyl]methyl]-dimethyl-azanium; 3-nitrobenzenesulfonate Openeye Name: 2-acetoxyethyl-[[4-[[2-acetoxyethyl(dimethyl)ammonio]methyl]phenyl]methyl]-dimethyl-ammonium; 3-nitrobenzenesulfonate CAS Name: 2-acetyloxyethyl-[[4-[[2-acetyloxyethyl(dimethyl)ammonio]methyl]phenyl]methyl]-dimethylammonium; 3-nitrobenzenesulfonate IUPAC Name: 2-acetyloxyethyl-[[4-[[2-acetyloxyethyl(dimethyl)azaniumyl]methyl]phenyl]methyl]-dimethylazanium; 3-nitrobenzenesulfonate Traditional Name: 2-acetoxyethyl-[4-[[2-acetoxyethyl(dimethyl)ammonio]methyl]benzyl]-dimethyl-ammonium; 3-nitrobesylate Formula: C32H42N4O14S2 MolecularWeight: 770.82428

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC[N+](C)(C)CC1=CC=C(C=C1)C[N+](C)(C)CCOC(=O)C.C1=CC(=CC(=C1)S(=O)(=O)[O-])[N+](=O)[O-].C1=CC(=CC(=C1)S(=O)(=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC(=O)OCC[N+](C)(C)CC1=CC=C(C=C1)C[N+](C)(C)CCOC(=O)C.C1=CC(=CC(=C1)S(=O)(=O)[O-])[N+](=O)[O-].C1=CC(=CC(=C1)S(=O)(=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C20H34N2O4.2C6H5NO5S/c1-17(23)25-13-11-21(3,4)15-19-7-9-20(10-8-19)16-22(5,6)12-14-26-18(2)24;2*8-7(9)5-2-1-3-6(4-5)13(10,11)12/h7-10H,11-16H2,1-6H3;2*1-4H,(H,10,11,12)/q+2;;/p-2