1-methyl-4-phenyl-1-azoniabicyclo[2.2.2]octane bromide hydrate

Systemtic Name: 1-methyl-4-phenyl-1-azoniabicyclo[2.2.2]octane bromide hydrate Openeye Name: 1-methyl-4-phenyl-quinuclidin-1-ium bromide hydrate CAS Name: 1-methyl-4-phenyl-1-azoniabicyclo[2.2.2]octane bromide hydrate IUPAC Name: 1-methyl-4-phenyl-1-azoniabicyclo[2.2.2]octane bromide hydrate Traditional Name: 1-methyl-4-phenyl-quinuclidin-1-ium bromide hydrate Formula: C14H22BrNO MolecularWeight: 300.23458

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]12CCC(CC1)(CC2)C3=CC=CC=C3.O.[Br-]

Isomeric SMILES

C[N+]12CCC(CC1)(CC2)C3=CC=CC=C3.O.[Br-]

InChI

InChI=1S/C14H20N.BrH.H2O/c1-15-10-7-14(8-11-15,9-12-15)13-5-3-2-4-6-13;;/h2-6H,7-12H2,1H3;1H;1H2/q+1;;/p-1