Vitas-M small molecule compound

3-benzyl-1-butyl-1-azoniabicyclo[2.2.2]octane

Catalog ID
STL147220
SMILES CCCC[N+]12CCC(CC1)C(C2)Cc1ccccc1

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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.

We do not supply quantities above 5 g.

Structure and other identifiers

2D representation rendered from the SMILES, with core physicochemical data.
Formula C18H28N MW 258.43 g/mol Purity >90% as per NMR
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
InChIKey
SEKSEIXFOPYQLM-UHFFFAOYSA-N
Synonyms

(3R)3BENZYL1BUTYL1AZONIABICYCLO(222)OCTANE
3benzyl1butyl1azoniabicyclo(222)octane
3benzyl1butylquinuclidin1iumbromide
CCCC(N+)12CCC(CC1)C(C2)Cc1ccccc1
CCCC(N+)12CCC(CC1)C(C2)Cc1ccccc1(Br)
CCCC(N+)12CCC(CC1)C(C2)CC3=CC=CC=C3
InChI=1SC18H28Nc123111912917(101319)18(1519)14167546816h481718H23915H21H3q+1
MFCD03008580
ZINC000001822274
ZINC000001822275

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.