1-butyl-3-(phenylmethyl)-1-azoniabicyclo[2.2.2]octane

Systemtic Name: 1-butyl-3-(phenylmethyl)-1-azoniabicyclo[2.2.2]octane Openeye Name: 3-benzyl-1-butyl-quinuclidin-1-ium CAS Name: 1-butyl-3-(phenylmethyl)-1-azoniabicyclo[2.2.2]octane IUPAC Name: 3-benzyl-1-butyl-1-azoniabicyclo[2.2.2]octane Traditional Name: 3-benzyl-1-butyl-quinuclidin-1-ium Formula: C18H28N+ MolecularWeight: 258.42162

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+]12CCC(CC1)C(C2)CC3=CC=CC=C3

Isomeric SMILES

CCCC[N+]12CCC(CC1)C(C2)CC3=CC=CC=C3

InChI

InChI=1S/C18H28N/c1-2-3-11-19-12-9-17(10-13-19)18(15-19)14-16-7-5-4-6-8-16/h4-8,17-18H,2-3,9-15H2,1H3/q+1