tert-butyl-dimethyl-[2-oxidanyl-1-[4-[2-(trimethylazaniumyl)ethanoyl]phenoxy]propan-2-yl]azanium

Systemtic Name: tert-butyl-dimethyl-[2-oxidanyl-1-[4-[2-(trimethylazaniumyl)ethanoyl]phenoxy]propan-2-yl]azanium Openeye Name: tert-butyl-[1-hydroxy-1-methyl-2-[4-[2-(trimethylammonio)acetyl]phenoxy]ethyl]-dimethyl-ammonium CAS Name: tert-butyl-[2-hydroxy-1-[4-[1-oxo-2-(trimethylammonio)ethyl]phenoxy]propan-2-yl]-dimethylammonium IUPAC Name: tert-butyl-[2-hydroxy-1-[4-[2-(trimethylazaniumyl)acetyl]phenoxy]propan-2-yl]-dimethylazanium Traditional Name: tert-butyl-[1-hydroxy-1-methyl-2-[4-[2-(trimethylammonio)acetyl]phenoxy]ethyl]-dimethyl-ammonium Formula: C20H36N2O3+2 MolecularWeight: 352.51144

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)[N+](C)(C)C(C)(COC1=CC=C(C=C1)C(=O)C[N+](C)(C)C)O

Isomeric SMILES

CC(C)(C)[N+](C)(C)C(C)(COC1=CC=C(C=C1)C(=O)C[N+](C)(C)C)O

InChI

InChI=1S/C20H36N2O3/c1-19(2,3)22(8,9)20(4,24)15-25-17-12-10-16(11-13-17)18(23)14-21(5,6)7/h10-13,24H,14-15H2,1-9H3/q+2