methyl sulfate; trimethyl-[3-[3-(trimethylazaniumyl)phenoxy]carbonyloxyphenyl]azanium

Systemtic Name: methyl sulfate; trimethyl-[3-[3-(trimethylazaniumyl)phenoxy]carbonyloxyphenyl]azanium Openeye Name: methyl sulfate; trimethyl-[3-[3-(trimethylammonio)phenoxy]carbonyloxyphenyl]ammonium CAS Name: methyl sulfate; trimethyl-[3-[oxo-[3-(trimethylammonio)phenoxy]methoxy]phenyl]ammonium IUPAC Name: methyl sulfate; trimethyl-[3-[3-(trimethylazaniumyl)phenoxy]carbonyloxyphenyl]azanium Traditional Name: methyl sulfate; trimethyl-[3-[3-(trimethylammonio)phenoxy]carbonyloxyphenyl]ammonium Formula: C21H32N2O11S2 MolecularWeight: 552.61558

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)C1=CC(=CC=C1)OC(=O)OC2=CC=CC(=C2)[N+](C)(C)C.COS(=O)(=O)[O-].COS(=O)(=O)[O-]

Isomeric SMILES

C[N+](C)(C)C1=CC(=CC=C1)OC(=O)OC2=CC=CC(=C2)[N+](C)(C)C.COS(=O)(=O)[O-].COS(=O)(=O)[O-]

InChI

InChI=1S/C19H26N2O3.2CH4O4S/c1-20(2,3)15-9-7-11-17(13-15)23-19(22)24-18-12-8-10-16(14-18)21(4,5)6;2*1-5-6(2,3)4/h7-14H,1-6H3;2*1H3,(H,2,3,4)/q+2;;/p-2