tributyl-[(2,2,5,5-tetramethyl-1-oxidanidyl-1H-pyrrol-1-ium-3-yl)methyl]azanium bromide

Systemtic Name: tributyl-[(2,2,5,5-tetramethyl-1-oxidanidyl-1H-pyrrol-1-ium-3-yl)methyl]azanium bromide Openeye Name: tributyl-[(2,2,5,5-tetramethyl-1-oxido-1H-pyrrol-1-ium-3-yl)methyl]ammonium bromide CAS Name: tributyl-[(2,2,5,5-tetramethyl-1-oxido-1H-pyrrol-1-ium-3-yl)methyl]ammonium bromide IUPAC Name: tributyl-[(2,2,5,5-tetramethyl-1-oxido-1H-pyrrol-1-ium-3-yl)methyl]azanium bromide Traditional Name: tributyl-[(2,2,5,5-tetramethyl-1-oxido-3-pyrrolin-1-ium-3-yl)methyl]ammonium bromide Formula: C21H43BrN2O MolecularWeight: 419.48292

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+](CCCC)(CCCC)CC1=CC([NH+](C1(C)C)[O-])(C)C.[Br-]

Isomeric SMILES

CCCC[N+](CCCC)(CCCC)CC1=CC([NH+](C1(C)C)[O-])(C)C.[Br-]

InChI

InChI=1S/C21H43N2O.BrH/c1-8-11-14-23(15-12-9-2,16-13-10-3)18-19-17-20(4,5)22(24)21(19,6)7;/h17,22H,8-16,18H2,1-7H3;1H/q+1;/p-1