1-ethyl-N-phenyl-1-azoniabicyclo[2.2.2]octan-3-imine bromide

Systemtic Name: 1-ethyl-N-phenyl-1-azoniabicyclo[2.2.2]octan-3-imine bromide Openeye Name: 1-ethyl-N-phenyl-quinuclidin-1-ium-3-imine bromide CAS Name: 1-ethyl-N-phenyl-1-azoniabicyclo[2.2.2]octan-3-imine bromide IUPAC Name: 1-ethyl-N-phenyl-1-azoniabicyclo[2.2.2]octan-3-imine bromide Traditional Name: (1-ethylquinuclidin-1-ium-3-ylidene)-phenyl-amine bromide Formula: C15H21BrN2 MolecularWeight: 309.24464

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]12CCC(CC1)C(=NC3=CC=CC=C3)C2.[Br-]

Isomeric SMILES

CC[N+]12CCC(CC1)C(=NC3=CC=CC=C3)C2.[Br-]

InChI

InChI=1S/C15H21N2.BrH/c1-2-17-10-8-13(9-11-17)15(12-17)16-14-6-4-3-5-7-14;/h3-7,13H,2,8-12H2,1H3;1H/q+1;/p-1