1-azoniabicyclo[2.2.2]octan-3-yl-[1-(4-bromophenyl)-2-phenyl-ethyl]azanium

Systemtic Name: 1-azoniabicyclo[2.2.2]octan-3-yl-[1-(4-bromophenyl)-2-phenyl-ethyl]azanium Openeye Name: [1-(4-bromophenyl)-2-phenyl-ethyl]-quinuclidin-1-ium-3-yl-ammonium CAS Name: 1-azoniabicyclo[2.2.2]octan-3-yl-[1-(4-bromophenyl)-2-phenylethyl]ammonium IUPAC Name: 1-azoniabicyclo[2.2.2]octan-3-yl-[1-(4-bromophenyl)-2-phenylethyl]azanium Traditional Name: [1-(4-bromophenyl)-2-phenyl-ethyl]-quinuclidin-1-ium-3-yl-ammonium Formula: C21H27BrN2+2 MolecularWeight: 387.35648

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+]2CCC1C(C2)[NH2+]C(CC3=CC=CC=C3)C4=CC=C(C=C4)Br

Isomeric SMILES

C1C[NH+]2CCC1C(C2)[NH2+]C(CC3=CC=CC=C3)C4=CC=C(C=C4)Br

InChI

InChI=1S/C21H25BrN2/c22-19-8-6-17(7-9-19)20(14-16-4-2-1-3-5-16)23-21-15-24-12-10-18(21)11-13-24/h1-9,18,20-21,23H,10-15H2/p+2