Vitas-M small molecule compound

1-benzyl-1-(3-phenylprop-2-yn-1-yl)piperidinium

Catalog ID
STK729136
SMILES c1ccc(cc1)C#CC[N+]1(CCCCC1)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 C21H24N MW 290.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H24N/c1-4-11-20(12-5-1)15-10-18-22(16-8-3-9-17-22)19-21-13-6-2-7-14-21/h1-2,4-7,11-14H,3,8-9,16-19H2/q+1
InChIKey
HYMGVKIFMNVUJQ-UHFFFAOYSA-N
Synonyms

1benzyl1(3phenylprop2yn1yl)piperidin1iumchloride
1benzyl1(3phenylprop2yn1yl)piperidinium
1BENZYL1(3PHENYLPROP2YNYL)PIPERIDIN1IUM
C1CC(N+)(CC1)(CC#CC2=CC=CC=C2)CC3=CC=CC=C3
c1ccc(cc1)C#CC(N+)1(CCCCC1)Cc1ccccc1
c1ccc(cc1)C#CC(N+)1(CCCCC1)Cc1ccccc1(Cl)
InChI=1SC21H24Nc141120(1251)15101822(168391722)1921136271421h12471114H3891619H2q+1
MFCD01956013
ZINC000001252529
ZINC01252529
ZINC1252529

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Available files

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