1-(2-nitrophenyl)-1-azoniabicyclo[2.2.2]octan-3-amine

Systemtic Name: 1-(2-nitrophenyl)-1-azoniabicyclo[2.2.2]octan-3-amine Openeye Name: 1-(2-nitrophenyl)quinuclidin-1-ium-3-amine CAS Name: 1-(2-nitrophenyl)-1-azoniabicyclo[2.2.2]octan-3-amine IUPAC Name: 1-(2-nitrophenyl)-1-azoniabicyclo[2.2.2]octan-3-amine Traditional Name: [1-(2-nitrophenyl)quinuclidin-1-ium-3-yl]amine Formula: C13H18N3O2+ MolecularWeight: 248.30092

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+]2(CCC1C(C2)N)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

C1C[N+]2(CCC1C(C2)N)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C13H18N3O2/c14-11-9-16(7-5-10(11)6-8-16)13-4-2-1-3-12(13)15(17)18/h1-4,10-11H,5-9,14H2/q+1