Vitas-M small molecule compound

3-(diethylcarbamoyl)-1-octylpyridinium

Catalog ID
STL565113
SMILES CCCCCCCC[n+]1cccc(c1)C(=O)N(CC)CC

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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 C18H31N2O MW 291.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H31N2O/c1-4-7-8-9-10-11-14-19-15-12-13-17(16-19)18(21)20(5-2)6-3/h12-13,15-16H,4-11,14H2,1-3H3/q+1
InChIKey
NOJCQTRCRFIKDS-UHFFFAOYSA-N
Synonyms

3(diethylcarbamoyl)1octylpyridin1iumchloride
3(diethylcarbamoyl)1octylpyridinium
3777790
CCCCCCCC(n+)1cccc(c1)C(=O)N(CC)CC(Cl)
InChI=1SC18H31N2Oc147891011141915121317(1619)18(21)20(52)63h12131516H41114H213H3q+1
NNdiethyl1octylpyridin1ium3carboxamide
ZINC000008691080

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Available files

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