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

Systemtic Name: 4-[(4-nitrophenyl)methyl]-1-aza-4-azoniabicyclo[2.2.2]octane bromide Openeye Name: 4-[(4-nitrophenyl)methyl]-1-aza-4-azoniabicyclo[2.2.2]octane bromide CAS Name: 4-[(4-nitrophenyl)methyl]-1-aza-4-azoniabicyclo[2.2.2]octane bromide IUPAC Name: 4-[(4-nitrophenyl)methyl]-1-aza-4-azoniabicyclo[2.2.2]octane bromide Traditional Name: 4-(4-nitrobenzyl)-1-aza-4-azoniabicyclo[2.2.2]octane bromide Formula: C13H18BrN3O2 MolecularWeight: 328.20492

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+]2(CCN1CC2)CC3=CC=C(C=C3)[N+](=O)[O-].[Br-]

Isomeric SMILES

C1C[N+]2(CCN1CC2)CC3=CC=C(C=C3)[N+](=O)[O-].[Br-]

InChI

InChI=1S/C13H18N3O2.BrH/c17-15(18)13-3-1-12(2-4-13)11-16-8-5-14(6-9-16)7-10-16;/h1-4H,5-11H2;1H/q+1;/p-1