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(1-methyl-1-azoniabicyclo[3.3.1]nonan-3-yl) 2-oxidanyl-2-phenyl-2-thiophen-2-yl-ethanoate bromide

(1-methyl-1-azoniabicyclo[3.3.1]nonan-3-yl) 2-oxidanyl-2-phenyl-2-thiophen-2-yl-ethanoate bromide

Systemtic Name:(1-methyl-1-azoniabicyclo[3.3.1]nonan-3-yl) 2-oxidanyl-2-phenyl-2-thiophen-2-yl-ethanoate bromide
Openeye Name:(1-methyl-1-azoniabicyclo[3.3.1]nonan-3-yl) 2-hydroxy-2-phenyl-2-(2-thienyl)acetate bromide
CAS Name:2-hydroxy-2-phenyl-2-thiophen-2-ylacetic acid (1-methyl-1-azoniabicyclo[3.3.1]nonan-3-yl) ester bromide
IUPAC Name:(1-methyl-1-azoniabicyclo[3.3.1]nonan-3-yl) 2-hydroxy-2-phenyl-2-thiophen-2-ylacetate bromide
Traditional Name:2-hydroxy-2-phenyl-2-(2-thienyl)acetic acid (1-methyl-1-azoniabicyclo[3.3.1]nonan-3-yl) ester bromide
Formula: C21H26BrNO3S
MolecularWeight: 452.40504
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Descriptors Computed from Structure

Canonical SMILES:

C[N+]12CCCC(C1)CC(C2)OC(=O)C(C3=CC=CC=C3)(C4=CC=CS4)O.[Br-]


Isomeric SMILES

C[N+]12CCCC(C1)CC(C2)OC(=O)C(C3=CC=CC=C3)(C4=CC=CS4)O.[Br-]


InChI

InChI=1S/C21H26NO3S.BrH/c1-22-11-5-7-16(14-22)13-18(15-22)25-20(23)21(24,19-10-6-12-26-19)17-8-3-2-4-9-17;/h2-4,6,8-10,12,16,18,24H,5,7,11,13-15H2,1H3;1H/q+1;/p-1


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