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1-[(4-isothiocyanatophenyl)methyl]-1-azoniabicyclo[2.2.2]octane bromide

1-[(4-isothiocyanatophenyl)methyl]-1-azoniabicyclo[2.2.2]octane bromide

Systemtic Name:1-[(4-isothiocyanatophenyl)methyl]-1-azoniabicyclo[2.2.2]octane bromide
Openeye Name:1-[(4-isothiocyanatophenyl)methyl]quinuclidin-1-ium bromide
CAS Name:1-[(4-isothiocyanatophenyl)methyl]-1-azoniabicyclo[2.2.2]octane bromide
IUPAC Name:1-[(4-isothiocyanatophenyl)methyl]-1-azoniabicyclo[2.2.2]octane bromide
Traditional Name:1-(4-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=C(C=C3)N=C=S.[Br-]


Isomeric SMILES

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


InChI

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


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