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1-[(3-isothiocyanatophenyl)methyl]-1-azoniabicyclo[2.2.2]octane bromide

1-[(3-isothiocyanatophenyl)methyl]-1-azoniabicyclo[2.2.2]octane bromide

Systemtic Name:1-[(3-isothiocyanatophenyl)methyl]-1-azoniabicyclo[2.2.2]octane bromide
Openeye Name:1-[(3-isothiocyanatophenyl)methyl]quinuclidin-1-ium bromide
CAS Name:1-[(3-isothiocyanatophenyl)methyl]-1-azoniabicyclo[2.2.2]octane bromide
IUPAC Name:1-[(3-isothiocyanatophenyl)methyl]-1-azoniabicyclo[2.2.2]octane bromide
Traditional Name:1-(3-isothiocyanatobenzyl)quinuclidin-1-ium bromide
Formula: C15H19BrN2S
MolecularWeight: 339.29376
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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+]2(CCC1CC2)CC3=CC(=CC=C3)N=C=S.[Br-]


Isomeric SMILES

C1C[N+]2(CCC1CC2)CC3=CC(=CC=C3)N=C=S.[Br-]


InChI

InChI=1S/C15H19N2S.BrH/c18-12-16-15-3-1-2-14(10-15)11-17-7-4-13(5-8-17)6-9-17;/h1-3,10,13H,4-9,11H2;1H/q+1;/p-1


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