butanoyl-[4-[3-[tert-butyl(dimethyl)azaniumyl]-2-methyl-2-oxidanyl-propoxy]phenyl]-dimethyl-azanium

Systemtic Name: butanoyl-[4-[3-[tert-butyl(dimethyl)azaniumyl]-2-methyl-2-oxidanyl-propoxy]phenyl]-dimethyl-azanium Openeye Name: butanoyl-[4-[3-[tert-butyl(dimethyl)ammonio]-2-hydroxy-2-methyl-propoxy]phenyl]-dimethyl-ammonium CAS Name: tert-butyl-[3-[4-[dimethyl(1-oxobutyl)ammonio]phenoxy]-2-hydroxy-2-methylpropyl]-dimethylammonium IUPAC Name: butanoyl-[4-[3-[tert-butyl(dimethyl)azaniumyl]-2-hydroxy-2-methylpropoxy]phenyl]-dimethylazanium Traditional Name: tert-butyl-[3-[4-[butyryl(dimethyl)ammonio]phenoxy]-2-hydroxy-2-methyl-propyl]-dimethyl-ammonium Formula: C22H40N2O3+2 MolecularWeight: 380.5646

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)[N+](C)(C)C1=CC=C(C=C1)OCC(C)(C[N+](C)(C)C(C)(C)C)O

Isomeric SMILES

CCCC(=O)[N+](C)(C)C1=CC=C(C=C1)OCC(C)(C[N+](C)(C)C(C)(C)C)O

InChI

InChI=1S/C22H40N2O3/c1-10-11-20(25)24(8,9)18-12-14-19(15-13-18)27-17-22(5,26)16-23(6,7)21(2,3)4/h12-15,26H,10-11,16-17H2,1-9H3/q+2